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Benzothiazole

CAS 95-16-9C7H5NSMW 135.01 g/mol

Benzothiazole (CAS 95-16-9) — formula C7H5NS, molecular weight 135.01 g/mol.

Product Overview

CAS Number95-16-9
Molecular FormulaC7H5NS
Molecular Weight135.01 g/mol
Melting Point2 °C
Boiling Point227-228 °C AT 765 MM HG
LogP2

Technical Profile

What this product is

Benzothiazole is a chemical compound with CAS registry number 95-16-9 and molecular formula C7H5NS (molecular weight 135.01 g/mol).

Identification

CAS number: 95-16-9

Its molecular formula C7H5NS comprises 7 C, 5 H, 1 N, 1 S atoms.

Also known as: Benzothiazole · 苯并噻唑

Frequently Asked Questions

What is the CAS number of Benzothiazole?

The CAS registry number of Benzothiazole is 95-16-9.

What is the molecular formula and molecular weight of Benzothiazole?

Molecular formula C7H5NS, molecular weight 135.01 g/mol.

What other names is Benzothiazole known by?

It is also registered under: Benzothiazole, 苯并噻唑.

PubChem Public Data

Independent reference data for Benzothiazole (CAS 95-16-9), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number95-16-9
PubChem CID7222
Molecular formulaC7H5NS
Molecular weight135.01 g/mol
IUPAC name1,3-benzothiazole
InChIKeyIOJUPLGTWVMSFF-UHFFFAOYSA-N
UNII (FDA)G5BW2593EP
ChEBI IDCHEBI:45993
FEMA number3256
JECFA number1040

Computed descriptors

Molecular Weight135.19
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass135.01427034
Monoisotopic Mass135.01427034
Topological Polar Surface Area41.1
Heavy Atom Count9

Physicochemical values on record

Boiling Point227-228 °C AT 765 MM HG
Boiling Point231.00 to 233.00 °C. @ 760.00 mm Hg
Boiling Point231 °C
Boiling Point231 °C @760 [mm Hg]
Melting Point2 °C
Solubility4.3 mg/mL at 25 °C
Density1.246 AT 20 °C/4 °C
Density1.236-1.240
Density1.238 @25 °C
Vapor Pressure0.01 [mmHg]

Documented uses on record

    Used as a flavor, antimicrobial agent, and component of cyanine dyes; Derivatives used as rubber accelerators; [HSDB] Used in organic synthesis; [Merck Index]FLAVORING SUBSTANCE OR ADJUVANT

    Synonyms and trade names

    BENZOTHIAZOLE; 95-16-9; 1,3-Benzothiazole; Benzosulfonazole; 1-Thia-3-azaindene; Vangard BT; USAF EK-4812; FEMA No. 3256; FEMA Number 3256; DTXSID7024586; O-2857; CHEBI:45993; G5BW2593EP; NSC-8040; DTXCID204586; RefChem:118563

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Nut, Rubber
    No safety concern at current levels of intake when used as a flavouring agent

    GHS hazard classification

    Reported hazard statementsH301, H311 (10.2%), H302 (11.8%), H319 (88.3%), H332 (88.2%), H402, H412, H310

    H301+H311 (10.2%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]

    H301 (88.2%): Toxic if swallowed [Danger Acute toxicity, oral]

    What the public record says

    Benzothiazole is identified by CAS 95-16-9, molecular formula C7H5NS and molecular weight 135.01 g/mol. UNII G5BW2593EP; ChEBI 45993; InChIKey IOJUPLGTWVMSFF-UHFFFAOYSA-N. Boiling Point: 227-228 °C AT 765 MM HG; Boiling Point: 231.00 to 233.00 °C. @ 760.00 mm Hg; Boiling Point: 231 °C.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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