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831238-73-4 | 4-Thiazolidinone, 3-(3-hydroxypropyl)-2-[4-(methylsulfonyl)phenyl]-
CAS No: 831238-73-4 Catalog No: AG00511U MDL No:
Product Description
Catalog Number:
AG00511U
Chemical Name:
4-Thiazolidinone, 3-(3-hydroxypropyl)-2-[4-(methylsulfonyl)phenyl]-
CAS Number:
831238-73-4
Molecular Formula:
C13H17NO4S2
Molecular Weight:
315.4084
IUPAC Name:
3-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H17NO4S2/c1-20(17,18)11-5-3-10(4-6-11)13-14(7-2-8-15)12(16)9-19-13/h3-6,13,15H,2,7-9H2,1H3
InChI Key:
FAYXRZUJRCCVQP-UHFFFAOYSA-N
SMILES:
OCCCN1C(=O)CSC1c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.06g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.402g/mol
Monoisotopic Mass:
315.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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