AG00APU6

172152-53-3 | 5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole

AG00APU6

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CAS Number	172152-53-3
Catalog Number	AG00APU6(AGN-PC-0O4V4I)
Chemical Name	5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole
IUPAC Name	5-pyrrol-1-yl-1,3-dihydrobenzimidazole-2-thione
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)
InChI Key	YYXGYVYKGRUILQ-UHFFFAOYSA-N
MDL Number	MFCD15144909
Molecular Formula	C11H9N3S
Molecular Weight	215.2743
SMILES	N1(C=CC=C1)C1=CC2=C(NC(N2)=S)C=C1
Synonyms	172152-53-3, 5-(1H-Pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol, 5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole, 5-pyrrol-1-yl-1,3-dihydrobenzimidazole-2-thione, SCHEMBL1253211, CTK8B9188, DTXSID60614268, BCP20558, 8850AA, ANW-62179, ZINC45331774, AKOS015918146, AKOS028109301, AK102379, SC-94842, AJ-110479, AX8233918, DB-064842, TC-150924, FT-0760810, Pyrrol-1-yl)-1H-benzo[d]imidazole-2-thiol, ST24044162, Z1713, 6-(1H-Pyrrole-1-yl)-1H-benzoimidazole-2-thiol, I14-8300, 1,3-dihydro-5-(1H-pyrrol-1-yl)-2H-Benzimidazole-2-thione, 2H-Benzimidazole-2-thione, 1,3-dihydro-5-(1H-pyrrol-1-yl)-, 5-(1H-Pyrrol-1-yl)-1,3-dihydro-2H-benzimidazole-2-thione, C11H9N3S,

Complexity	263
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.052g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	215.274g/mol
Monoisotopic Mass	215.052g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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