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161192-26-3 | 3-Methyl-2-(4-oxo-2-thioxo-3-thiazolidinyl)butyric acid, 95%
CAS No: 161192-26-3 Catalog No: AG00AMMK MDL No:MFCD00457542
Product Description
Catalog Number:
AG00AMMK
Chemical Name:
3-Methyl-2-(4-oxo-2-thioxo-3-thiazolidinyl)butyric acid, 95%
CAS Number:
161192-26-3
Molecular Formula:
C8H11NO3S2
Molecular Weight:
233.3078
MDL Number:
MFCD00457542
IUPAC Name:
3-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
InChI:
InChI=1S/C8H11NO3S2/c1-4(2)6(7(11)12)9-5(10)3-14-8(9)13/h4,6H,3H2,1-2H3,(H,11,12)
InChI Key:
CAFMKIQOSYUXLI-UHFFFAOYSA-N
SMILES:
CC(C(N1C(=S)SCC1=O)C(=O)O)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.018g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.3g/mol
Monoisotopic Mass:
233.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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