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Home > Imidazoles > 4198-61-2
4198-61-2 | 1H-Benzimidazole-2-ethanethiol,6-methyl-
CAS No: 4198-61-2 Catalog No: AG00742I MDL No:
Product Description
Catalog Number:
AG00742I
Chemical Name:
1H-Benzimidazole-2-ethanethiol,6-methyl-
CAS Number:
4198-61-2
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
IUPAC Name:
2-(6-methyl-1H-benzimidazol-2-yl)ethanethiol
InChI:
InChI=1S/C10H12N2S/c1-7-2-3-8-9(6-7)12-10(11-8)4-5-13/h2-3,6,13H,4-5H2,1H3,(H,11,12)
InChI Key:
BXHJSFOJMVMXSH-UHFFFAOYSA-N
SMILES:
SCCc1nc2c([nH]1)cc(cc2)C
NSC Number:
96385
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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