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855715-12-7 | 3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CAS No: 855715-12-7 Catalog No: AG019JWB MDL No:MFCD06655075
Product Description
Catalog Number:
AG019JWB
Chemical Name:
3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CAS Number:
855715-12-7
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
MDL Number:
MFCD06655075
IUPAC Name:
3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H13NO2S/c1-9-5-3-4-6-10(9)11(15)7-13-14(2)12(16)8-17-13/h3-7H,8H2,1-2H3
InChI Key:
YSQSLFIVXOKSGK-UHFFFAOYSA-N
SMILES:
O=C1CSC(=CC(=O)c2ccccc2C)N1C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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