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749920-39-6 | 2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CAS No: 749920-39-6 Catalog No: AG019JMX MDL No:MFCD06336999
Product Description
Catalog Number:
AG019JMX
Chemical Name:
2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CAS Number:
749920-39-6
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD06336999
IUPAC Name:
2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11NO2S/c1-8-4-2-3-5-9(8)10(14)6-12-13-11(15)7-16-12/h2-6H,7H2,1H3,(H,13,15)
InChI Key:
WIBUPYDOTYSKFW-UHFFFAOYSA-N
SMILES:
O=C1CSC(=CC(=O)c2ccccc2C)N1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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