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917750-52-8 | 2-Mercapto-5,8-dimethyl-quinoline-3-carbonitrile
CAS No: 917750-52-8 Catalog No: AG01EZ8X MDL No:
Product Description
Catalog Number:
AG01EZ8X
Chemical Name:
2-Mercapto-5,8-dimethyl-quinoline-3-carbonitrile
CAS Number:
917750-52-8
Molecular Formula:
C12H10N2S
Molecular Weight:
214.2862
IUPAC Name:
5,8-dimethyl-2-sulfanylidene-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C12H10N2S/c1-7-3-4-8(2)11-10(7)5-9(6-13)12(15)14-11/h3-5H,1-2H3,(H,14,15)
InChI Key:
NJRDGDNPMIKZFX-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(C)ccc(c2nc1S)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.286g/mol
Monoisotopic Mass:
214.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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