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Heterocyclic building blocks

Bentaluron

Also known as 1-(1,3-Benzothiazol-2-yl)-3-isopropylurea, n-2-Benzothiazolyl-N'-(1-methylethyl)urea, 1-(1,3-benzothiazol-2-yl)-3-propan-2-ylurea

CAS 28956-64-1Formula C11H13N3OSMolar mass 235.31 g/mol
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Bentaluron chemical structure, C11H13N3OS, CAS 28956-64-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
28956-64-1
Formula
C11H13N3OS
Molar mass
235.31 g/mol
HS code
293420
Category
Heterocyclic building blocks

What is Bentaluron?

Plain description, key identifiers and synonyms

Bentaluron is a chemical substance with the molecular formula C11H13N3OS and a molar mass of 235.31 g/mol. Its CAS registry number is 28956-64-1. The IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-propan-2-ylurea.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(1,3-benzothiazol-2-yl)-3-propan-2-ylurea
CAS number
28956-64-1 CAS number cross-checked
Molecular formula
C11H13N3OS
UNII
CX774E8C9Y
InChIKey
NCJRWSQYSLEKEI-UHFFFAOYSA-N
InChI
InChI=1S/C11H13N3OS/c1-7(2)12-10(15)14-11-13-8-5-3-4-6-9(8)16-11/h3-7H,1-2H3,(H2,12,13,14,15)
SMILES (canonical and isomeric)
CC(C)NC(=O)NC1=NC2=CC=CC=C2S1

Synonyms

  • 1-(1,3-Benzothiazol-2-yl)-3-isopropylurea
  • n-2-Benzothiazolyl-N'-(1-methylethyl)urea
  • 1-(1,3-benzothiazol-2-yl)-3-propan-2-ylurea
  • 1-(1,3-benzothiazol-2-yl)-3-(propan-2-yl)urea
  • N-(1,3-Benzothiazol-2-yl)-N'-(propan-2-yl)urea

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
235.31 g/molcalc.
Exact mass
235.0779 Dacalc.
LogP (octanol/water)
2.83calc.
Topological polar surface area
54.02 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
16calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.27calc.
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, c1ccc2scnc2c1

c1ccc2scnc2c1

2 rings, 9 atoms, the Benzothiazole ring system.

6,032 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Bentaluron suppliers

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Bentaluron 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

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 Bentaluron 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 Bentaluron is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Bentaluron?

Bentaluron is a chemical substance with the molecular formula C11H13N3OS and a molar mass of 235.31 g/mol. Its CAS registry number is 28956-64-1. The IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-propan-2-ylurea.

What is the CAS number of Bentaluron?

The CAS registry number of Bentaluron is 28956-64-1.

What is the molecular formula and weight of Bentaluron?

The molecular formula of Bentaluron is C11H13N3OS and its molar mass is 235.31 g/mol.

What is Bentaluron used for?

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

Is Bentaluron hazardous?

No GHS hazard classification for Bentaluron is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Bentaluron?

Bentaluron 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 Bentaluron?

Post a free request on CompoundList and suppliers of Bentaluron will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Bentaluron?

Suppliers quote Bentaluron 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 Bentaluron

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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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