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39137-13-8 | 2-(4-Oxo-2-thioxo-3-thiazolidinyl)propionic acid, 95%
CAS No: 39137-13-8 Catalog No: AG00CJW8 MDL No:MFCD00457538
Product Description
Catalog Number:
AG00CJW8
Chemical Name:
2-(4-Oxo-2-thioxo-3-thiazolidinyl)propionic acid, 95%
CAS Number:
39137-13-8
Molecular Formula:
C6H7NO3S2
Molecular Weight:
205.2547
MDL Number:
MFCD00457538
IUPAC Name:
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
InChI:
InChI=1S/C6H7NO3S2/c1-3(5(9)10)7-4(8)2-12-6(7)11/h3H,2H2,1H3,(H,9,10)
InChI Key:
STSZELICBFRQES-UHFFFAOYSA-N
SMILES:
OC(=O)C(N1C(=S)SCC1=O)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.987g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.246g/mol
Monoisotopic Mass:
204.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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