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113023-54-4 | 2-Thiazolidinone, 4-(1-methylethyl)-3-(1-oxopropyl)-, (S)-
CAS No: 113023-54-4 Catalog No: AG00788L MDL No:
Product Description
Catalog Number:
AG00788L
Chemical Name:
2-Thiazolidinone, 4-(1-methylethyl)-3-(1-oxopropyl)-, (S)-
CAS Number:
113023-54-4
Molecular Formula:
C9H15NO2S
Molecular Weight:
201.2859
IUPAC Name:
3-propanoyl-4-propan-2-yl-1,3-thiazolidin-2-one
InChI:
InChI=1S/C9H15NO2S/c1-4-8(11)10-7(6(2)3)5-13-9(10)12/h6-7H,4-5H2,1-3H3
InChI Key:
CZHVQKXGHUXLSB-UHFFFAOYSA-N
SMILES:
CCC(=O)N1C(=O)SC[C@@H]1C(C)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.082g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.284g/mol
Monoisotopic Mass:
201.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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