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368889-32-1 | Glycine, N-[(2-thioxo-4-thiazolidinyl)carbonyl]-
CAS No: 368889-32-1 Catalog No: AG0077NN MDL No:
Product Description
Catalog Number:
AG0077NN
Chemical Name:
Glycine, N-[(2-thioxo-4-thiazolidinyl)carbonyl]-
CAS Number:
368889-32-1
Molecular Formula:
C6H8N2O3S2
Molecular Weight:
220.2693
IUPAC Name:
2-[(2-sulfanylidene-1,3-thiazolidine-4-carbonyl)amino]acetic acid
InChI:
InChI=1S/C6H8N2O3S2/c9-4(10)1-7-5(11)3-2-13-6(12)8-3/h3H,1-2H2,(H,7,11)(H,8,12)(H,9,10)
InChI Key:
HWGYQQIKPZLUCY-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)C1CSC(=S)N1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.998g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
220.261g/mol
Monoisotopic Mass:
219.998g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Identification of a new urinary metabolite of carbon disulfide using an improved method for the determination of 2-thioxothiazolidine-4-carboxylic acid. | Chemical research in toxicology 20010901 |
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