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89570-24-1 | 1,2,4-Dithiazolidine-4-acetic acid, 3-oxo-5-thioxo-, ethyl ester
CAS No: 89570-24-1 Catalog No: AG003Z9N MDL No:
Product Description
Catalog Number:
AG003Z9N
Chemical Name:
1,2,4-Dithiazolidine-4-acetic acid, 3-oxo-5-thioxo-, ethyl ester
CAS Number:
89570-24-1
Molecular Formula:
C6H7NO3S3
Molecular Weight:
237.3197
IUPAC Name:
ethyl 2-(3-oxo-5-sulfanylidene-1,2,4-dithiazolidin-4-yl)acetate
InChI:
InChI=1S/C6H7NO3S3/c1-2-10-4(8)3-7-5(9)12-13-6(7)11/h2-3H2,1H3
InChI Key:
WCGBNLOOGPYJER-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1c(=O)ssc1=S
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.959g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.306g/mol
Monoisotopic Mass:
236.959g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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