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67562-24-7 | 1(2H)-Quinolinecarbothioamide, octahydro-N-phenyl-
CAS No: 67562-24-7 Catalog No: AG006EFP MDL No:
Product Description
Catalog Number:
AG006EFP
Chemical Name:
1(2H)-Quinolinecarbothioamide, octahydro-N-phenyl-
CAS Number:
67562-24-7
Molecular Formula:
C16H22N2S
Molecular Weight:
274.4243
IUPAC Name:
N-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbothioamide
InChI:
InChI=1S/C16H22N2S/c19-16(17-14-9-2-1-3-10-14)18-12-6-8-13-7-4-5-11-15(13)18/h1-3,9-10,13,15H,4-8,11-12H2,(H,17,19)
InChI Key:
CPAXTERNTZGGAS-UHFFFAOYSA-N
SMILES:
S=C(N1CCCC2C1CCCC2)Nc1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.15g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.426g/mol
Monoisotopic Mass:
274.15g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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