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Home > Pyridines > 1597781-23-1
1597781-23-1 | 1-(2-methylphenyl)-3-sulfanylidene-2H,3H,5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile
CAS No: 1597781-23-1 Catalog No: AG00IXUZ MDL No:MFCD28016105
Product Description
Catalog Number:
AG00IXUZ
Chemical Name:
1-(2-methylphenyl)-3-sulfanylidene-2H,3H,5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile
CAS Number:
1597781-23-1
Molecular Formula:
C16H14N2S
Molecular Weight:
266.3608
MDL Number:
MFCD28016105
IUPAC Name:
1-(2-methylphenyl)-3-sulfanylidene-2,5,6,7-tetrahydrocyclopenta[c]pyridine-4-carbonitrile
InChI:
InChI=1S/C16H14N2S/c1-10-5-2-3-6-11(10)15-13-8-4-7-12(13)14(9-17)16(19)18-15/h2-3,5-6H,4,7-8H2,1H3,(H,18,19)
InChI Key:
OXOQLHHLALYUCT-UHFFFAOYSA-N
SMILES:
N#Cc1c(=S)[nH]c(c2c1CCC2)c1ccccc1C
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.362g/mol
Monoisotopic Mass:
266.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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