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Screening compounds

Benzthiazide

Also known as Benzothiazide, Aquatag, Fovane

CAS 91-33-8Formula C15H14ClN3O4S3Molar mass 431.95 g/molEC 202-061-0
GHS signal word: Danger. Pictograms: Harmful or irritant, Serious health hazard 1 supplier listed
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Benzthiazide chemical structure, C15H14ClN3O4S3, CAS 91-33-8
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Crystals from acetone
Melting point
231 to 232
Solubility
PRACTICALLY INSOL IN WATER, SOL IN ALKALINE SOLN
HS code
293590
Category
Screening compounds
Illustrative photo, closed blue fibre drums on a pallet in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Benzthiazide?

Plain description, key identifiers and synonyms

Benzthiazide is 7-Sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by chlorine and that at position 3 is substituted by a benzylsulfanylmethyl group. A diuretic, it is used to treat hypertension and edema. It has a role as a diuretic and an antihypertensive agent. It is a sulfonamide and a benzothiadiazine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
CAS number
91-33-8 CAS number cross-checkedOther or deprecated CAS: 1794768-22-1
EC number
202-061-0
Molecular formula
C15H14ClN3O4S3
UNII
1TD8J48L61
MDL number
MFCD00078969
InChIKey
NDTSRXAMMQDVSW-UHFFFAOYSA-N
InChI
InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)
SMILES (canonical and isomeric)
C1=CC=C(C=C1)CSCC2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)S(=O)(=O)N

Synonyms

  • Benzothiazide
  • Aquatag
  • Fovane
  • Exna
  • Dihydrex
  • Lemazide
  • Urese
  • Freeuril
  • Diucen
  • Edemex
  • Exosalt
  • Proaqua
  • Diucene
  • Regulon
  • Benzotiazida
  • Benzthiazidum
  • Fouane
  • Pfizer 1393
  • Benztiazide
  • benztiazida
  • 3-Benzylthiomethyl-6-chloro-7-sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide
  • 3-((Benzylthio)methyl)-6-chloro-7-sulfamoyl-2H-benzo-1,2,4-thiadiazine 1,1-dioxide
  • 6-Chloro-7-sulfamoyl-3-benzylthiomethyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
  • 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-((benzylthio)methyl)-6-chloro-, 1,1-dioxide
  • 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(((phenylmethyl)thio)methyl)-, 1,1-dioxide
Show all 38 synonyms
  • 3-Benzylthiomethyl-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
  • 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-[[(phenylmethyl)thio]methyl]-, 1,1-dioxide
  • 3-((Benzylthio)methyl)-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
  • 3-((Benzylthio)methyl)-6-chloro-7-sulfamoyl-2H-benzo-1,2,4-thiadiazine-1,1-dioxide
  • 6-chloro-1,1-dioxo-3-(phenylmethylsulfanylmethyl)-4H-benzo[e][1,2,4]thiadiazine-7-sulfonamide
  • 3-[(benzylthio)methyl]-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
  • 3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1$l^(6),2,4-benzothiadiazine-7-sulfonamide
  • 3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
  • 3-((benzylsulfanyl)methyl)-6-chloro-1,1-dioxo-4H-1$l^(6),2,4-benzothiadiazine-7-sulfonamide
  • 3-[(benzylsulfanyl)methyl]-6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
  • 6-chloro-1,1-dioxo-3-(phenylmethylsulfanylmethyl)-4H-benzo(e)(1,2,4)thiadiazine-7-sulfonamide
  • 3-((benzylsulfanyl)methyl)-6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
  • Aquapres

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Crystals from acetoneexp.
Odour
CHARACTERISTICexp.
Taste
BITTER TASTEexp.
Melting point
231 to 232exp.
Solubility
PRACTICALLY INSOL IN WATER, SOL IN ALKALINE SOLNexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
431.95 g/molcalc.
Exact mass
430.9835 Dacalc.
LogP (octanol/water)
2.43calc.
Topological polar surface area
118.7 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.13calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=S1(=O)N=C(CSCc2ccccc2)Nc2ccccc21

O=S1(=O)N=C(CSCc2ccccc2)Nc2ccccc21

3 rings, 21 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H317May cause an allergic skin reaction.
  • H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Precautionary statements (15)
  • P233Keep container tightly closed.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P271Use only outdoors or in a well-ventilated area.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P342 + P316If experiencing respiratory symptoms: Get emergency medical help immediately.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403Store in a well-ventilated place.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Benzthiazide suppliers

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  • Medkem
    India, Hyderabad ManufacturerUnclaimed profile
    BenzthiazideGrade, purity and minimum order on request
    Price on request
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Benzthiazide price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Therapeutic category: Diuretic, antihypertensive.

Roles

  • antihypertensive agent
  • cardiovascular drug
  • diuretic
  • pharmaceutical

Pharmacology

Benzthiazide is an intermediate acting agent belonging to the class of thiazide diuretics. Benzthiazide, also known as benzothiazide, is no longer commercially available in the United States.

How it is made

4-Amino-6-chloro-m-benzenedisulfonamide is reacted with chloroacetic anhydride to give 2,3'-dichloro-4',6'-disulfamoylacetanilide which is then caused to condense & cyclize by treatment with benzyl mercaptan in presence of sodium hydroxide. Us patent 3,111,517.

Prepn: J.M. McManus et al., 136th Am Chem Soc Meet (Atlantic City, Sept 1959) Abstr of Papers, pp 13-O, W.M. McLamore, G.D. Laubach, Ger pat 1,137,740, eidem, U.S. pat 3,440,244 (1962, 1960 both to Pfizer).

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Benzthiazide is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Benzthiazide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Benzthiazide, based on the data on this page

What is Benzthiazide?

Benzthiazide is 7-Sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by chlorine and that at position 3 is substituted by a benzylsulfanylmethyl group. A diuretic, it is used to treat hypertension and edema. It has a role as a diuretic and an antihypertensive agent.

What is the CAS number of Benzthiazide?

The CAS registry number of Benzthiazide is 91-33-8. Other or deprecated CAS numbers: 1794768-22-1.

What is the molecular formula and weight of Benzthiazide?

The molecular formula of Benzthiazide is C15H14ClN3O4S3 and its molar mass is 431.95 g/mol.

What is Benzthiazide used for?

Therapeutic category: Diuretic, antihypertensive.

Is Benzthiazide hazardous?

Benzthiazide carries the GHS signal word "Danger". Main hazards: may cause an allergic skin reaction, may cause allergy or asthma symptoms or breathing difficulties if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Benzthiazide?

Benzthiazide is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Benzthiazide?

CompoundList lists 1 supplier of Benzthiazide in India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Benzthiazide in India?

1 supplier in India list Benzthiazide on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Benzthiazide?

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Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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