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Impurities and reference standards

Dibenzothiazepinone

Also known as 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine, Dibenzo[b,f][1,4]thiazepin-11(10H)-one, Dibenzo(b,f)(1,4)thiazepin-11(10H)-one

CAS 3159-07-7Formula C13H9NOSMolar mass 227.29 g/molEC 438-020-0
GHS signal word: Warning. Pictograms: Harmful or irritant 19 suppliers listed
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Dibenzothiazepinone chemical structure, C13H9NOS, CAS 3159-07-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3159-07-7
Formula
C13H9NOS
Molar mass
227.29 g/mol
EC number
438-020-0
HS code
293499
Category
Impurities and reference standards

What is Dibenzothiazepinone?

Plain description, key identifiers and synonyms

Dibenzothiazepinone is a chemical substance with the molecular formula C13H9NOS and a molar mass of 227.29 g/mol. Its CAS registry number is 3159-07-7. The IUPAC name is 5H-benzo[b][1,4]benzothiazepin-6-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5H-benzo[b][1,4]benzothiazepin-6-one
CAS number
3159-07-7 CAS number cross-checked
EC numbers
438-020-0, 608-646-0
Molecular formula
C13H9NOS
UNII
FL6FG1E3WF
MDL number
MFCD00901197
InChIKey
RTERDTBXBYNZIS-UHFFFAOYSA-N
InChI
InChI=1S/C13H9NOS/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3S2

Synonyms

  • 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine
  • Dibenzo[b,f][1,4]thiazepin-11(10H)-one
  • Dibenzo(b,f)(1,4)thiazepin-11(10H)-one
  • Quetiapine fumarate impurity G
  • Dibenzothiazepinone (USP)
  • dibenzo[b,f][1,4]thiazepine-11(10-H)-one
  • 10,11-dihydro-11-oxodibenz[b,f][1,4]thiazepine
  • Dibenzo(b,f)(1,4)thiazepine-11(10-h)-one
  • 10,11-Dihydro-11-oxodibenz(b,f)(1,4)thiazepine
  • 10,11-Dihydro-11-oxodibenzo(b,f)(1,4)thiazepine
  • Dibenzothiazepinone (usp impurity)
  • Quetiapine fumarate impurity g (ep impurity)
  • dibenzo[b,f][1,4]thiazepine-11-[10h]one
  • 5H-benzo[b][1,4]benzothiazepin-6-one
  • Quetiapine EP Impurity G
  • Dibenzo [b-f] [1-4]thiazepine 11-[10H]one
  • dibenzo[b,f][1,4]thiazepine-11-(10H)one
  • Dibenzo[b,f][1,4]thiazepinone
  • 10H-Dibenzo[b,f][1,4]thiazepin-11-one
  • Quetiapine Impurity G
  • Dibenzo[b,4]thiazepinone
  • GNF-Pf-769
  • 11-Oxo-10,11-dihydro-Dibenzo[b,f][1,4]thiazepine
  • {Dibenzo[b,f][1,4]thiazepinone}
  • Dibenzo[b,f][1,4]thiazepin-11-ol
Show all 34 synonyms
  • dibenzo-[b,f][1,4]thiazepin-11-one
  • dibenzo-[b,f] [1,4]thiazepin-11-one
  • 10H-dibenzo[b,f]1,4-thiazepin-11-one
  • 10H-dibenzo[b,f][1,4]thiazepine-11-one
  • dibenz[b,f][1,4]thiazepin-11(10H)-one
  • dibenzo[b,f][1,4]thiazepine-11(10-H)one
  • di-benzo[b,f ][1,4]thiazepin-11(10h)-one
  • Dibenzo[b,f][1,4]thiazepin-11(10H)-one #
  • 5,6-Dihydro-6-oxodibenzo(b,f)-1,4-thiazepine

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
227.29 g/molcalc.
Exact mass
227.0405 Dacalc.
LogP (octanol/water)
3.4calc.
Topological polar surface area
29.1 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
16calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0calc.
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=C1Nc2ccccc2Sc2ccccc21

O=C1Nc2ccccc2Sc2ccccc21

3 rings, 16 atoms. This chemical is the scaffold itself.

24 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H413May cause long lasting harmful effects to aquatic life.
Precautionary statements (20)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • 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

Dibenzothiazepinone suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 19 suppliers
19 of 19 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

19 suppliers in 5 countries

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Dibenzothiazepinone 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Dibenzothiazepinone is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Dibenzothiazepinone?

Dibenzothiazepinone is a chemical substance with the molecular formula C13H9NOS and a molar mass of 227.29 g/mol. Its CAS registry number is 3159-07-7. The IUPAC name is 5H-benzo[b][1,4]benzothiazepin-6-one.

What is the CAS number of Dibenzothiazepinone?

The CAS registry number of Dibenzothiazepinone is 3159-07-7.

What is the molecular formula and weight of Dibenzothiazepinone?

The molecular formula of Dibenzothiazepinone is C13H9NOS and its molar mass is 227.29 g/mol.

Is Dibenzothiazepinone hazardous?

Dibenzothiazepinone carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Dibenzothiazepinone?

Dibenzothiazepinone is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dibenzothiazepinone?

CompoundList lists 19 suppliers of Dibenzothiazepinone in India, China, United Arab Emirates, Netherlands and 1 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Dibenzothiazepinone in India?

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

What is the price of Dibenzothiazepinone?

Suppliers quote Dibenzothiazepinone on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Dibenzothiazepinone

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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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