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205314-27-8 | 1H-Benzimidazole, 1-methyl-2-[(methylthio)methyl]-
CAS No: 205314-27-8 Catalog No: AG0029ZI MDL No:
Product Description
Catalog Number:
AG0029ZI
Chemical Name:
1H-Benzimidazole, 1-methyl-2-[(methylthio)methyl]-
CAS Number:
205314-27-8
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
IUPAC Name:
1-methyl-2-(methylsulfanylmethyl)benzimidazole
InChI:
InChI=1S/C10H12N2S/c1-12-9-6-4-3-5-8(9)11-10(12)7-13-2/h3-6H,7H2,1-2H3
InChI Key:
ZRXRINSKKPEZAP-UHFFFAOYSA-N
SMILES:
CSCc1nc2c(n1C)cccc2
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:
0
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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