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Heterocyclic building blocks

Bas 00527026

Also known as N-(1,3-benzothiazol-2-yl)-N'-phenylthiourea, N-(2-benzothiazolyl)-N' -phenylthiourea, (benzothiazol-2-ylamino)(phenylamino)methane-1-thione

CAS 1849-86-1Formula C14H11N3S2Molar mass 285.40 g/molEC 150-147-0
GHS signal word: Warning. Pictograms: Harmful or irritant
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Bas 00527026 chemical structure, C14H11N3S2, CAS 1849-86-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1849-86-1
Formula
C14H11N3S2
Molar mass
285.40 g/mol
EC number
150-147-0
HS code
293420
Category
Heterocyclic building blocks

What is Bas 00527026?

Plain description, key identifiers and synonyms

Bas 00527026 is a chemical substance with the molecular formula C14H11N3S2 and a molar mass of 285.40 g/mol. Its CAS registry number is 1849-86-1. The IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-phenylthiourea.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(1,3-benzothiazol-2-yl)-3-phenylthiourea
CAS number
1849-86-1 CAS number cross-checked
EC number
150-147-0
Molecular formula
C14H11N3S2
InChIKey
CBUSXNYHLMPPND-UHFFFAOYSA-N
InChI
InChI=1S/C14H11N3S2/c18-13(15-10-6-2-1-3-7-10)17-14-16-11-8-4-5-9-12(11)19-14/h1-9H,(H2,15,16,17,18)
SMILES (canonical and isomeric)
C1=CC=C(C=C1)NC(=S)NC2=NC3=CC=CC=C3S2

Synonyms

  • N-(1,3-benzothiazol-2-yl)-N'-phenylthiourea
  • N-(2-benzothiazolyl)-N' -phenylthiourea
  • (benzothiazol-2-ylamino)(phenylamino)methane-1-thione

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
285.40 g/molcalc.
Exact mass
285.0394 Dacalc.
LogP (octanol/water)
4.11calc.
Topological polar surface area
36.95 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
19calc.
Rings
3calc.
Aromatic rings
3calc.
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, S=C(Nc1ccccc1)Nc1nc2ccccc2s1

S=C(Nc1ccccc1)Nc1nc2ccccc2s1

3 rings, 19 atoms. This chemical is the scaffold itself.

5 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.
  • H319Causes serious eye irritation.
  • H413May cause long lasting harmful effects to aquatic life.
Precautionary statements (10)
  • 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.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P330Rinse mouth.
  • P337 + P317If eye irritation persists: Get medical help.
  • 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

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Bas 00527026 price

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Uses and applications

What the substance is used for, by industry and function

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 Bas 00527026 is traded under.

HS 2934.20Indicative HS code

Compounds containing in the structure a benzothiazole ring-system (whether or not…

World exports in 2024
$662M
+4.3% vs 2023, imports $630M
2019 to 2024
Top exporters
  1. China62.9%
  2. Belgium14.6%
  3. United States5.4%
Top importers
  1. India * partner reported18.5%
  2. United States18.1%
  3. Brazil6.7%

* Partner reported figures, a lower bound.

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

The HS code shown for Bas 00527026 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bas 00527026, based on the data on this page

What is Bas 00527026?

Bas 00527026 is a chemical substance with the molecular formula C14H11N3S2 and a molar mass of 285.40 g/mol. Its CAS registry number is 1849-86-1. The IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-phenylthiourea.

What is the CAS number of Bas 00527026?

The CAS registry number of Bas 00527026 is 1849-86-1.

What is the molecular formula and weight of Bas 00527026?

The molecular formula of Bas 00527026 is C14H11N3S2 and its molar mass is 285.40 g/mol.

What is Bas 00527026 used for?

Known uses and roles of Bas 00527026 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Bas 00527026 hazardous?

Bas 00527026 carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes serious eye irritation, may cause long lasting harmful effects to aquatic life. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Bas 00527026?

Bas 00527026 is usually classified under HS code 293420 (Compounds containing in the structure a benzothiazole ring-system (whether or not…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bas 00527026?

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What is the price of Bas 00527026?

Suppliers quote Bas 00527026 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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