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7321-99-5 | 3H-Imidazo[4,5-c]pyridine, 3-methyl-2-(methylthio)-
CAS No: 7321-99-5 Catalog No: AG005Q0D MDL No:
Product Description
Catalog Number:
AG005Q0D
Chemical Name:
3H-Imidazo[4,5-c]pyridine, 3-methyl-2-(methylthio)-
CAS Number:
7321-99-5
Molecular Formula:
C8H9N3S
Molecular Weight:
179.2422
IUPAC Name:
3-methyl-2-methylsulfanylimidazo[4,5-c]pyridine
InChI:
InChI=1S/C8H9N3S/c1-11-7-5-9-4-3-6(7)10-8(11)12-2/h3-5H,1-2H3
InChI Key:
FPESFSSXBUOKMT-UHFFFAOYSA-N
SMILES:
CSc1nc2c(n1C)cncc2
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.241g/mol
Monoisotopic Mass:
179.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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