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Home > Pyridines > 175277-27-7
175277-27-7 | 3-Pyridinecarbonitrile, 6-formyl-2-(methylthio)-
CAS No: 175277-27-7 Catalog No: AG0020S4 MDL No:MFCD00173824
Product Description
Catalog Number:
AG0020S4
Chemical Name:
3-Pyridinecarbonitrile, 6-formyl-2-(methylthio)-
CAS Number:
175277-27-7
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD00173824
IUPAC Name:
6-formyl-2-methylsulfanylpyridine-3-carbonitrile
InChI:
InChI=1S/C8H6N2OS/c1-12-8-6(4-9)2-3-7(5-11)10-8/h2-3,5H,1H3
InChI Key:
UBGVOMZGBKLUOU-UHFFFAOYSA-N
SMILES:
CSc1nc(C=O)ccc1C#N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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