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100780-08-3 | Benzenepropanoic acid, β-phenyl-, 4-methyl-2-thioxo-3(2H)-thiazolyl ester
CAS No: 100780-08-3 Catalog No: AG0002VC MDL No:
Product Description
Catalog Number:
AG0002VC
Chemical Name:
Benzenepropanoic acid, β-phenyl-, 4-methyl-2-thioxo-3(2H)-thiazolyl ester
CAS Number:
100780-08-3
Molecular Formula:
C19H17NO2S2
Molecular Weight:
355.4738
IUPAC Name:
(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) 3,3-diphenylpropanoate
InChI:
InChI=1S/C19H17NO2S2/c1-14-13-24-19(23)20(14)22-18(21)12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3
InChI Key:
WNIOLUDCOJTCNS-UHFFFAOYSA-N
SMILES:
O=C(On1c(C)csc1=S)CC(c1ccccc1)c1ccccc1
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.07g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.47g/mol
Monoisotopic Mass:
355.07g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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