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101476-75-9 | 2-Propen-1-one, 3-[(4-methylphenyl)amino]-3-(methylthio)-1-phenyl-
CAS No: 101476-75-9 Catalog No: AG0004KZ MDL No:
Product Description
Catalog Number:
AG0004KZ
Chemical Name:
2-Propen-1-one, 3-[(4-methylphenyl)amino]-3-(methylthio)-1-phenyl-
CAS Number:
101476-75-9
Molecular Formula:
C17H17NOS
Molecular Weight:
283.3880
IUPAC Name:
3-(4-methylanilino)-3-methylsulfanyl-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C17H17NOS/c1-13-8-10-15(11-9-13)18-17(20-2)12-16(19)14-6-4-3-5-7-14/h3-12,18H,1-2H3
InChI Key:
IGODZSMLMJGYLA-UHFFFAOYSA-N
SMILES:
CSC(=CC(=O)c1ccccc1)Nc1ccc(cc1)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.389g/mol
Monoisotopic Mass:
283.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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