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156139-61-6 | Ethanone, 1-(2,3-dihydro-4-methyl-3-phenyl-2-thioxo-5-thiazolyl)-
CAS No: 156139-61-6 Catalog No: AG001OJZ MDL No:MFCD03196766
Product Description
Catalog Number:
AG001OJZ
Chemical Name:
Ethanone, 1-(2,3-dihydro-4-methyl-3-phenyl-2-thioxo-5-thiazolyl)-
CAS Number:
156139-61-6
Molecular Formula:
C12H11NOS2
Molecular Weight:
249.3518
MDL Number:
MFCD03196766
IUPAC Name:
1-(4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone
InChI:
InChI=1S/C12H11NOS2/c1-8-11(9(2)14)16-12(15)13(8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChI Key:
NSKNVTYNXCJNAS-UHFFFAOYSA-N
SMILES:
CC(=O)c1sc(=S)n(c1C)c1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.346g/mol
Monoisotopic Mass:
249.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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