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23509-65-1 | 5-Thiazolidinecarboxylic acid, 3-cyclohexyl-4-hydroxy-4-methyl-2-thioxo-, ethyl ester
CAS No: 23509-65-1 Catalog No: AG002NH0 MDL No:
Product Description
Catalog Number:
AG002NH0
Chemical Name:
5-Thiazolidinecarboxylic acid, 3-cyclohexyl-4-hydroxy-4-methyl-2-thioxo-, ethyl ester
CAS Number:
23509-65-1
Molecular Formula:
C13H21NO3S2
Molecular Weight:
303.4407
IUPAC Name:
ethyl 3-cyclohexyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-5-carboxylate
InChI:
InChI=1S/C13H21NO3S2/c1-3-17-11(15)10-13(2,16)14(12(18)19-10)9-7-5-4-6-8-9/h9-10,16H,3-8H2,1-2H3
InChI Key:
RCKXBEXDSFXKGW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1SC(=S)N(C1(C)O)C1CCCCC1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.435g/mol
Monoisotopic Mass:
303.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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