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Home > Pyridines > 128917-84-0
128917-84-0 | 3-Pyridinecarbonitrile, 1,2-dihydro-4,5,6-trimethyl-2-thioxo-
CAS No: 128917-84-0 Catalog No: AG000YJH MDL No:MFCD00052657
Product Description
Catalog Number:
AG000YJH
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-4,5,6-trimethyl-2-thioxo-
CAS Number:
128917-84-0
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
MDL Number:
MFCD00052657
IUPAC Name:
4,5,6-trimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C9H10N2S/c1-5-6(2)8(4-10)9(12)11-7(5)3/h1-3H3,(H,11,12)
InChI Key:
PLYXVRVYCQKRHS-UHFFFAOYSA-N
SMILES:
N#Cc1c(=S)[nH]c(c(c1C)C)C
NSC Number:
666320
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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