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31316-80-0 | Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)-
CAS No: 31316-80-0 Catalog No: AG00I5WM MDL No:
Product Description
Catalog Number:
AG00I5WM
Chemical Name:
Butanedioic acid, (4-oxo-2-thioxo-3-thiazolidinyl)-
CAS Number:
31316-80-0
IUPAC Name:
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanedioic acid
InChI:
InChI=1S/C7H7NO5S2/c9-4-2-15-7(14)8(4)3(6(12)13)1-5(10)11/h3H,1-2H2,(H,10,11)(H,12,13)
InChI Key:
OSBIFROMLRRLRF-UHFFFAOYSA-N
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.977g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.255g/mol
Monoisotopic Mass:
248.977g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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