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30760-40-8 | 3-Thiazolidinecarboxylic acid, 2-thioxo-, ethyl ester
CAS No: 30760-40-8 Catalog No: AG00317C MDL No:
Product Description
Catalog Number:
AG00317C
Chemical Name:
3-Thiazolidinecarboxylic acid, 2-thioxo-, ethyl ester
CAS Number:
30760-40-8
Molecular Formula:
C6H9NO2S2
Molecular Weight:
191.2712
IUPAC Name:
ethyl 2-sulfanylidene-1,3-thiazolidine-3-carboxylate
InChI:
InChI=1S/C6H9NO2S2/c1-2-9-5(8)7-3-4-11-6(7)10/h2-4H2,1H3
InChI Key:
FMAVEPJEJSDDAE-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCSC1=S
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.007g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.263g/mol
Monoisotopic Mass:
191.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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