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145120-74-7 | 1H-Benzimidazole-2-sulfenic acid, 1-methyl-
CAS No: 145120-74-7 Catalog No: AG001KKQ MDL No:
Product Description
Catalog Number:
AG001KKQ
Chemical Name:
1H-Benzimidazole-2-sulfenic acid, 1-methyl-
CAS Number:
145120-74-7
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
IUPAC Name:
2-hydroxysulfanyl-1-methylbenzimidazole
InChI:
InChI=1S/C8H8N2OS/c1-10-7-5-3-2-4-6(7)9-8(10)12-11/h2-5,11H,1H3
InChI Key:
AFPLLMWCJRDRNM-UHFFFAOYSA-N
SMILES:
OSc1nc2c(n1C)cccc2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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