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Home > Imidazoles > 77148-60-8
77148-60-8 | Pyridine, 2-[(1H-imidazol-4-ylmethyl)thio]-
CAS No: 77148-60-8 Catalog No: AG005DUQ MDL No:
Product Description
Catalog Number:
AG005DUQ
Chemical Name:
Pyridine, 2-[(1H-imidazol-4-ylmethyl)thio]-
CAS Number:
77148-60-8
Molecular Formula:
C9H9N3S
Molecular Weight:
191.2529
IUPAC Name:
2-(1H-imidazol-5-ylmethylsulfanyl)pyridine
InChI:
InChI=1S/C9H9N3S/c1-2-4-11-9(3-1)13-6-8-5-10-7-12-8/h1-5,7H,6H2,(H,10,12)
InChI Key:
HCFAVDNNQZDMPV-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)SCc1c[nH]cn1
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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