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162471-33-2 | 4-Thiazolidinecarboxylic acid, 2-thioxo-, butyl ester, (4R)-
CAS No: 162471-33-2 Catalog No: AG001T6I MDL No:
Product Description
Catalog Number:
AG001T6I
Chemical Name:
4-Thiazolidinecarboxylic acid, 2-thioxo-, butyl ester, (4R)-
CAS Number:
162471-33-2
Molecular Formula:
C8H13NO2S2
Molecular Weight:
219.3243
IUPAC Name:
butyl (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylate
InChI:
InChI=1S/C8H13NO2S2/c1-2-3-4-11-7(10)6-5-13-8(12)9-6/h6H,2-5H2,1H3,(H,9,12)/t6-/m0/s1
InChI Key:
NHTMJYKIVIJWLX-LURJTMIESA-N
SMILES:
CCCCOC(=O)[C@@H]1CSC(=S)N1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
219.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.317g/mol
Monoisotopic Mass:
219.039g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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