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Home > Pyridines > 252058-91-6
252058-91-6 | 2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
CAS No: 252058-91-6 Catalog No: AG00IPN8 MDL No:MFCD00214959
Product Description
Catalog Number:
AG00IPN8
Chemical Name:
2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
CAS Number:
252058-91-6
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
MDL Number:
MFCD00214959
IUPAC Name:
2-methylsulfanyl-6-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C13H10N2S/c1-16-13-11(9-14)7-8-12(15-13)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
QCEMFLGUVGTNNS-UHFFFAOYSA-N
SMILES:
CSc1nc(ccc1C#N)c1ccccc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.297g/mol
Monoisotopic Mass:
226.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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