AG003HI4

6325-91-3 | 6-Nitro-1H-benzoimidazole-2-thiol

AG003HI4

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CAS Number	6325-91-3
Catalog Number	AG003HI4(AGN-PC-0KZ33R)
Chemical Name	6-Nitro-1H-benzoimidazole-2-thiol
IUPAC Name	5-nitro-1,3-dihydrobenzimidazole-2-thione
InChI	InChI=1S/C7H5N3O2S/c11-10(12)4-1-2-5-6(3-4)9-7(13)8-5/h1-3H,(H2,8,9,13)
InChI Key	YPXQSGWOGQPLQO-UHFFFAOYSA-N
MDL Number	MFCD00804727
Molecular Formula	C7H5N3O2S
Molecular Weight	195.1985
NSC Number	31137
SMILES	O=[N+](C1=CC=C2C(N=C(S)N2)=C1)[O-]
Synonyms	5-nitro-2-mercaptobenzimidazole, 6325-91-3, 2-Mercapto-5-nitrobenzimidazole, 5-Nitro-2-benzimidazolethiol, 5-Nitro-2-mercaptobenzimidazole, 5-Nitro-1H-benzo[d]imidazole-2-thiol, 2-Benzimidazolethiol, 5-nitro-, 2-Benzimidazolinethione, 5-nitro-, 2H-Benzimidazole-2-thione, 1,3-dihydro-5-nitro-, 6-nitro-1H-benzimidazole-2-thiol, 6-Nitro-1H-benzoimidazole-2-thiol, MFCD00804727, MLS002639388, YPXQSGWOGQPLQO-UHFFFAOYSA-N, 5-Nitro-1H-benzimidazole-2-thiol, 5-nitro-3-hydrobenzimidazole-2-thione, 6-nitro-1H-1,3-benzodiazole-2-thiol, 5-nitro-1,3-dihydrobenzimidazole-2-thione, 2-thione, NSC 31137, 5-Nitro-1,3-dihydro-benzoimidazole-, PubChem15048, AC1MW2ZZ, ACMC-1B9IS, AC1Q1XW6, Oprea1_044883, Oprea1_137907, Oprea1_746313, SCHEMBL594032, CHEMBL1726268, DTXSID7064235, CTK3J5529, 5-nitro-1H-benzoimidazol-2-thiol, HMS3079P08, KS-000016RW, NSC31137, ZINC5124323, ANW-34597, BBL022518, NSC-31137, SBB006921, STK281962, 5-Nitro-2-sulphanyl-1H-benzimidazole, AKOS000116381, AKOS001584995, AKOS015898399, 2-Mercapto-5-nitrobenzimidazole, 97%, AC-8149, AN-8267, MCULE-4673476441, RP25364, 5-nitro-1H-1,3-benzodiazole-2-thiol, PS-10567, SMR001548833, ST058117, AB1003057, DB-054443, RT-002581, 5-nitro-1H-benzo[d]imidazole-2(3H)-thione, EU-0000851, FT-0612749, H2857, M1325, ST24044854, EN300-03266, 2H-Benzimidazole-2-thione,3-dihydro-5-nitro-, L-1297, 5-nitro-2,3-dihydro-1h-benzimidazole-2-thione, SR-01000394332, 5-Nitro-1,3-dihydro-2H-benzimidazole-2-thione #, I10-0612, SR-01000394332-1, W-203353, Z56877848, 5-Methoxyquinolin-4-ol, C7-H5-N3-O2-S, ACN-S005387, ZINC00120206, CID3717598, 2H-Benzimidazole-2-thione, 1,3-dihydro-5-nitro- (9CI), 643069-43-6,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.01g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	195.196g/mol
Monoisotopic Mass	195.01g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number