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476296-89-6 | BENZAMIDE, N-(4,5-DIHYDRO-4-OXO-2-THIAZOLYL)-3,4-DIMETHYL-
CAS No: 476296-89-6 Catalog No: AG006ZWJ MDL No:
Product Description
Catalog Number:
AG006ZWJ
Chemical Name:
BENZAMIDE, N-(4,5-DIHYDRO-4-OXO-2-THIAZOLYL)-3,4-DIMETHYL-
CAS Number:
476296-89-6
Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.3009
IUPAC Name:
3,4-dimethyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide
InChI:
InChI=1S/C12H12N2O2S/c1-7-3-4-9(5-8(7)2)11(16)14-12-13-10(15)6-17-12/h3-5H,6H2,1-2H3,(H,13,14,15,16)
InChI Key:
UZMGLIHOVMILOR-UHFFFAOYSA-N
SMILES:
O=C1CSC(=N1)NC(=O)c1ccc(c(c1)C)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.3g/mol
Monoisotopic Mass:
248.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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