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88283-53-8 | 2-Thiazolidinone, 5,5-dimethyl-3-[(4-methylphenyl)sulfonyl]-
CAS No: 88283-53-8 Catalog No: AG004A93 MDL No:
Product Description
Catalog Number:
AG004A93
Chemical Name:
2-Thiazolidinone, 5,5-dimethyl-3-[(4-methylphenyl)sulfonyl]-
CAS Number:
88283-53-8
Molecular Formula:
C12H15NO3S2
Molecular Weight:
285.3824
IUPAC Name:
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-one
InChI:
InChI=1S/C12H15NO3S2/c1-9-4-6-10(7-5-9)18(15,16)13-8-12(2,3)17-11(13)14/h4-7H,8H2,1-3H3
InChI Key:
KXOSWMWZUGATNI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CC(SC1=O)(C)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.376g/mol
Monoisotopic Mass:
285.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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