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Home > Pyridines > 252058-90-5
252058-90-5 | 2-[(3-methylphenyl)sulfanyl]-6-phenylpyridine-3-carbonitrile
CAS No: 252058-90-5 Catalog No: AG00IPN7 MDL No:MFCD00214958
Product Description
Catalog Number:
AG00IPN7
Chemical Name:
2-[(3-methylphenyl)sulfanyl]-6-phenylpyridine-3-carbonitrile
CAS Number:
252058-90-5
Molecular Formula:
C19H14N2S
Molecular Weight:
302.3929
MDL Number:
MFCD00214958
IUPAC Name:
2-(3-methylphenyl)sulfanyl-6-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C19H14N2S/c1-14-6-5-9-17(12-14)22-19-16(13-20)10-11-18(21-19)15-7-3-2-4-8-15/h2-12H,1H3
InChI Key:
ZQGWDTHNXYCMHT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1Sc1cccc(c1)C)c1ccccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.395g/mol
Monoisotopic Mass:
302.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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