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5350-09-4 | 3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
CAS No: 5350-09-4 Catalog No: AG00DCWZ MDL No:MFCD00126046
Product Description
Catalog Number:
AG00DCWZ
Chemical Name:
3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
5350-09-4
Molecular Formula:
C10H9NO2S2
Molecular Weight:
239.3140
MDL Number:
MFCD00126046
IUPAC Name:
3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H9NO2S2/c1-13-8-4-2-7(3-5-8)11-9(12)6-15-10(11)14/h2-5H,6H2,1H3
InChI Key:
BEYLABROUJKUBN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1C(=S)SCC1=O
NSC Number:
3912
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.307g/mol
Monoisotopic Mass:
239.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41. | Journal of medicinal chemistry 20081225 |
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