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112058-72-7 | Pyridine, 2-[[(4-phenyl-1H-imidazol-2-yl)thio]methyl]-
CAS No: 112058-72-7 Catalog No: AG0083M7 MDL No:
Product Description
Catalog Number:
AG0083M7
Chemical Name:
Pyridine, 2-[[(4-phenyl-1H-imidazol-2-yl)thio]methyl]-
CAS Number:
112058-72-7
Molecular Formula:
C15H13N3S
Molecular Weight:
267.3488
IUPAC Name:
2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyridine
InChI:
InChI=1S/C15H13N3S/c1-2-6-12(7-3-1)14-10-17-15(18-14)19-11-13-8-4-5-9-16-13/h1-10H,11H2,(H,17,18)
InChI Key:
KHLGTUHTCJDPDU-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)CSc1[nH]cc(n1)c1ccccc1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.35g/mol
Monoisotopic Mass:
267.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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