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Home > Pyridines > 101045-94-7
101045-94-7 | 3-Pyridinecarbonitrile, 6-cyclopropyl-1,2-dihydro-2-thioxo-
CAS No: 101045-94-7 Catalog No: AG0003M2 MDL No:
Product Description
Catalog Number:
AG0003M2
Chemical Name:
3-Pyridinecarbonitrile, 6-cyclopropyl-1,2-dihydro-2-thioxo-
CAS Number:
101045-94-7
Molecular Formula:
C9H8N2S
Molecular Weight:
176.2382
IUPAC Name:
6-cyclopropyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C9H8N2S/c10-5-7-3-4-8(6-1-2-6)11-9(7)12/h3-4,6H,1-2H2,(H,11,12)
InChI Key:
VBWZJXIMOWRQFU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc([nH]c1=S)C1CC1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.237g/mol
Monoisotopic Mass:
176.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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