ChemicalBook--->CAS DataBase List--->172152-53-3

172152-53-3

172152-53-3 Structure

172152-53-3 Structure
IdentificationBack Directory
[Name]

5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole
[CAS]

172152-53-3
[Synonyms]

5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole
5-(1H-pyrrol-1-yl)-1H-benzo[d]iMidazole-2-thiol
5-pyrrol-1-yl-1,3-dihydrobenzimidazole-2-thione
1,3-dihydro-5-(1H-pyrrol-1-yl)-2H-Benzimidazole-2-thione
2H-Benzimidazole-2-thione, 1,3-dihydro-5-(1H-pyrrol-1-yl)-
[EINECS(EC#)]

1308068-626-2
[Molecular Formula]

C11H9N3S
[MDL Number]

MFCD15144909
[MOL File]

172152-53-3.mol
[Molecular Weight]

215.27
Chemical PropertiesBack Directory
[Boiling point ]

381.7±44.0 °C(Predicted)
[density ]

1.40
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

9.61±0.30(Predicted)
[color ]

White to Pale Green
[InChI]

InChI=1S/C11H9N3S/c15-11-12-9-4-3-8(7-10(9)13-11)14-5-1-2-6-14/h1-7H,(H2,12,13,15)
[InChIKey]

YYXGYVYKGRUILQ-UHFFFAOYSA-N
[SMILES]

C1(=S)NC2=CC=C(N3C=CC=C3)C=C2N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
Hazard InformationBack Directory
[Uses]

5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole is a pharmaceutical intermediate compound used in the synthesis of various drugs such as ilaprazole, gastric and ulcer drugs.
Spectrum DetailBack Directory
[Spectrum Detail]

5-(1H-Pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol(172152-53-3)1HNMR
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