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Home > Pyridines > 851722-01-5
851722-01-5 | 5-acetyl-6-phenyl-2-sulfanylpyridine-3-carbonitrile
CAS No: 851722-01-5 Catalog No: AG019NYO MDL No:MFCD06382860
Product Description
Catalog Number:
AG019NYO
Chemical Name:
5-acetyl-6-phenyl-2-sulfanylpyridine-3-carbonitrile
CAS Number:
851722-01-5
Molecular Formula:
C14H10N2OS
Molecular Weight:
254.3070
MDL Number:
MFCD06382860
IUPAC Name:
5-acetyl-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C14H10N2OS/c1-9(17)12-7-11(8-15)14(18)16-13(12)10-5-3-2-4-6-10/h2-7H,1H3,(H,16,18)
InChI Key:
BUCOWHNZGOLDQE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C(=O)C)c(nc1S)c1ccccc1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.307g/mol
Monoisotopic Mass:
254.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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