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Home > Imidazoles > 917746-91-9
917746-91-9 | 5-(1H-Benzoimidazol-2-yl)-pyridine-2-thiol
CAS No: 917746-91-9 Catalog No: AG01EZ51 MDL No:
Product Description
Catalog Number:
AG01EZ51
Chemical Name:
5-(1H-Benzoimidazol-2-yl)-pyridine-2-thiol
CAS Number:
917746-91-9
Molecular Formula:
C12H9N3S
Molecular Weight:
227.2850
IUPAC Name:
5-(1H-benzimidazol-2-yl)-1H-pyridine-2-thione
InChI:
InChI=1S/C12H9N3S/c16-11-6-5-8(7-13-11)12-14-9-3-1-2-4-10(9)15-12/h1-7H,(H,13,16)(H,14,15)
InChI Key:
VBCMZOFIOAWFCT-UHFFFAOYSA-N
SMILES:
Sc1ccc(cn1)c1nc2c([nH]1)cccc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.285g/mol
Monoisotopic Mass:
227.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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