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3806-42-6 | 5-Benzylidene-2-thioxothiazolidin-4-one
CAS No: 3806-42-6 Catalog No: AG00CPPU MDL No:
Product Description
Catalog Number:
AG00CPPU
Chemical Name:
5-Benzylidene-2-thioxothiazolidin-4-one
CAS Number:
3806-42-6
IUPAC Name:
(5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H7NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)/b8-6+
InChI Key:
OONWCXLYKDWKOU-SOFGYWHQSA-N
NSC Number:
43398
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
220.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.292g/mol
Monoisotopic Mass:
220.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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