5-Bromo-1H-benzo[D]imidazole-2(3H)-thione

HCID 3000741
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Basic information

CAS
68468-39-3
Standard SMILES
S=c1[nH]c2ccc(Br)cc2[nH]1
InChIKey
HZTQEFLQSTYJSE-UHFFFAOYSA-N
Molecular formula
C7H5BrN2S
Average molar mass
229.1 g/mol
Monoisotopic mass
227.93568126

Overview

See also: 5-bromo-2,3-dihydro-1H-1,3-benzodiazole-2-thione (annotation moved to).

Names & identifiers

Preferred name
5-Bromo-1H-benzo[D]imidazole-2(3H)-thione
IUPAC
5-bromo-1,3-dihydrobenzimidazole-2-thione
English name
5-Bromo-1,3-dihydro-2H-benzimidazol-2-thione
Molecular formula
C7H5BrN2S
Molecular weight
229.1

Names & synonyms

68468-39-35-BROMO-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONE5-BROMO-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-THIONE5-bromo-1,3-dihydrobenzimidazole-2-thioneMFCD066597142H-Benzimidazole-2-thione, 5-bromo-1,3-dihydro-5-BROMO-1,3-DIHYDRO-2H-BENZIMIDAZOLE-2-THIONE5-BROMO-2-MERCAPTO BENZIMIDAZOLE5-bromo-2-mercaptobenzimidazoleNSC5239826-bromo-1H-benzo[d]imidazole-2-thiol5-Bromo-2-benzimidazolethiol
Show more names
5-Bromo-1H-benzo[d]imidazole-2(3H)
SCHEMBL3836442SCHEMBL38364482-Mercapto-5-bromobenzimidazoleSCHEMBL16208357SCHEMBL29874884DTXSID80388217HZTQEFLQSTYJSE-UHFFFAOYSA-N5-bromo-1H-benzimidazole-2-thiol

Database identifiers

CAS
68468-39-3
PubChem CID
3000741
DTXSID
DTXSID80388217
Nikkaji
J866.125A

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
56.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
289 · 289-292 °C
Boiling point
319.3 · 319.3±44.0 °C(Predicted)
Density
1.89 · 1.89±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
9.71 · 9.71±0.30(Predicted)
Appearance
Light brown to gray Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers34 total

上海康恩博医药科技有限公司17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Related reactions

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Compound notes

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