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23509-68-4 | 5-Thiazolidinecarboxylic acid, 3-(3-chlorophenyl)-4-hydroxy-4-methyl-2-thioxo-, ethyl ester
CAS No: 23509-68-4 Catalog No: AG002NGZ MDL No:
Product Description
Catalog Number:
AG002NGZ
Chemical Name:
5-Thiazolidinecarboxylic acid, 3-(3-chlorophenyl)-4-hydroxy-4-methyl-2-thioxo-, ethyl ester
CAS Number:
23509-68-4
Molecular Formula:
C13H14ClNO3S2
Molecular Weight:
331.8382
IUPAC Name:
ethyl 3-(3-chlorophenyl)-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate
InChI:
InChI=1S/C13H14ClNO3S2/c1-3-18-11(16)10-13(2,17)15(12(19)20-10)9-6-4-5-8(14)7-9/h4-7,10,17H,3H2,1-2H3
InChI Key:
XUHNBLXMGKKWTA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1SC(=S)N(C1(C)O)c1cccc(c1)Cl
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.01g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.829g/mol
Monoisotopic Mass:
331.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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