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149530-79-0 | 2H-Benzimidazole-2-thione, 1,3-dihydro-1,5-dimethyl-
CAS No: 149530-79-0 Catalog No: AG001LSU MDL No:
Product Description
Catalog Number:
AG001LSU
Chemical Name:
2H-Benzimidazole-2-thione, 1,3-dihydro-1,5-dimethyl-
CAS Number:
149530-79-0
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
IUPAC Name:
3,6-dimethyl-1H-benzimidazole-2-thione
InChI:
InChI=1S/C9H10N2S/c1-6-3-4-8-7(5-6)10-9(12)11(8)2/h3-5H,1-2H3,(H,10,12)
InChI Key:
NUQZVIXXDIASPQ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)[nH]c(=S)n2C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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