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89472-62-8 | 2H-Pyrrol-2-one, 1-cyclohexyl-1,5-dihydro-3-(4-methylphenyl)-5-thioxo-
CAS No: 89472-62-8 Catalog No: AG004270 MDL No:
Product Description
Catalog Number:
AG004270
Chemical Name:
2H-Pyrrol-2-one, 1-cyclohexyl-1,5-dihydro-3-(4-methylphenyl)-5-thioxo-
CAS Number:
89472-62-8
Molecular Formula:
C17H19NOS
Molecular Weight:
285.4039
IUPAC Name:
1-cyclohexyl-3-(4-methylphenyl)-5-sulfanylidenepyrrol-2-one
InChI:
InChI=1S/C17H19NOS/c1-12-7-9-13(10-8-12)15-11-16(20)18(17(15)19)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3
InChI Key:
YVNFYIZFCMDNSW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=CC(=S)N(C1=O)C1CCCCC1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.405g/mol
Monoisotopic Mass:
285.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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