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16942-88-4 | Pentanedioic acid, 2-(4-oxo-2-thioxo-3-thiazolidinyl)-
CAS No: 16942-88-4 Catalog No: AG007UZ1 MDL No:
Product Description
Catalog Number:
AG007UZ1
Chemical Name:
Pentanedioic acid, 2-(4-oxo-2-thioxo-3-thiazolidinyl)-
CAS Number:
16942-88-4
Molecular Formula:
C8H9NO5S2
Molecular Weight:
263.2908
IUPAC Name:
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanedioic acid
InChI:
InChI=1S/C8H9NO5S2/c10-5-3-16-8(15)9(5)4(7(13)14)1-2-6(11)12/h4H,1-3H2,(H,11,12)(H,13,14)
InChI Key:
ONCPOKGRSJBOQM-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(N1C(=S)SCC1=O)C(=O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.992g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.282g/mol
Monoisotopic Mass:
262.992g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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