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100780-09-4 | Benzeneacetic acid, α-phenyl-, 4-methyl-2-thioxo-3(2H)-thiazolyl ester
CAS No: 100780-09-4 Catalog No: AG0002VB MDL No:
Product Description
Catalog Number:
AG0002VB
Chemical Name:
Benzeneacetic acid, α-phenyl-, 4-methyl-2-thioxo-3(2H)-thiazolyl ester
CAS Number:
100780-09-4
Molecular Formula:
C18H15NO2S2
Molecular Weight:
341.4472
IUPAC Name:
(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) 2,2-diphenylacetate
InChI:
InChI=1S/C18H15NO2S2/c1-13-12-23-18(22)19(13)21-17(20)16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,16H,1H3
InChI Key:
QLLKPKRFBYIQPT-UHFFFAOYSA-N
SMILES:
O=C(C(c1ccccc1)c1ccccc1)On1c(C)csc1=S
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.054g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.443g/mol
Monoisotopic Mass:
341.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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