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173156-74-6 | Methanethioic acid, S-(1-methyl-1H-benzimidazol-2-yl) ester
CAS No: 173156-74-6 Catalog No: AG001YNR MDL No:
Product Description
Catalog Number:
AG001YNR
Chemical Name:
Methanethioic acid, S-(1-methyl-1H-benzimidazol-2-yl) ester
CAS Number:
173156-74-6
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
IUPAC Name:
S-(1-methylbenzimidazol-2-yl) methanethioate
InChI:
InChI=1S/C9H8N2OS/c1-11-8-5-3-2-4-7(8)10-9(11)13-6-12/h2-6H,1H3
InChI Key:
BJULMQJCJKRYBH-UHFFFAOYSA-N
SMILES:
O=CSc1nc2c(n1C)cccc2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.236g/mol
Monoisotopic Mass:
192.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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