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95546-95-5 | 1-methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile
CAS No: 95546-95-5 Catalog No: AG00J5YB MDL No:MFCD03730896
Product Description
Catalog Number:
AG00J5YB
Chemical Name:
1-methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile
CAS Number:
95546-95-5
Molecular Formula:
C10H10N2S
Molecular Weight:
190.2648
MDL Number:
MFCD03730896
IUPAC Name:
1-methyl-3-sulfanylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carbonitrile
InChI:
InChI=1S/C10H10N2S/c1-6-7-3-2-4-8(7)9(5-11)10(13)12-6/h2-4H2,1H3,(H,12,13)
InChI Key:
FIYBVHOGFBIUPY-UHFFFAOYSA-N
SMILES:
N#Cc1c(=S)[nH]c(c2c1CCC2)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.264g/mol
Monoisotopic Mass:
190.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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