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86492-12-8 | Pyridine, 2-[(1H-imidazol-2-ylthio)methyl]-
CAS No: 86492-12-8 Catalog No: AG008G1V MDL No:
Product Description
Catalog Number:
AG008G1V
Chemical Name:
Pyridine, 2-[(1H-imidazol-2-ylthio)methyl]-
CAS Number:
86492-12-8
Molecular Formula:
C9H9N3S
Molecular Weight:
191.2529
IUPAC Name:
2-(1H-imidazol-2-ylsulfanylmethyl)pyridine
InChI:
InChI=1S/C9H9N3S/c1-2-4-10-8(3-1)7-13-9-11-5-6-12-9/h1-6H,7H2,(H,11,12)
InChI Key:
GWDJWCPKEBVEQG-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)CSc1ncc[nH]1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.252g/mol
Monoisotopic Mass:
191.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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