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752238-36-1 | 5-Chloro-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 752238-36-1 Catalog No: AG005CVB MDL No:
Product Description
Catalog Number:
AG005CVB
Chemical Name:
5-Chloro-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
752238-36-1
Molecular Formula:
C8H7ClN2S
Molecular Weight:
198.6726
IUPAC Name:
5-chloro-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C8H7ClN2S/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12)
InChI Key:
KEJRXJSWOQLISC-UHFFFAOYSA-N
SMILES:
N#Cc1c(=S)[nH]c(c(c1C)Cl)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.002g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.668g/mol
Monoisotopic Mass:
198.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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