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156212-36-1 | 3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one
CAS No: 156212-36-1 Catalog No: AG019IV2 MDL No:MFCD06660494
Product Description
Catalog Number:
AG019IV2
Chemical Name:
3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one
CAS Number:
156212-36-1
Molecular Formula:
C12H13NO2S
Molecular Weight:
235.3021
MDL Number:
MFCD06660494
IUPAC Name:
3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one
InChI:
InChI=1S/C12H13NO2S/c1-9-2-4-10(5-3-9)11(14)8-13-6-7-16-12(13)15/h2-5H,6-8H2,1H3
InChI Key:
WBRZXEUTQCVWSF-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C)CN1CCSC1=O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.301g/mol
Monoisotopic Mass:
235.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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