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21346-21-4 | 4-Thiazolidinone,3-(4-hydroxyphenyl)-2-thioxo-
CAS No: 21346-21-4 Catalog No: AG0072OE MDL No:MFCD00595772
Product Description
Catalog Number:
AG0072OE
Chemical Name:
4-Thiazolidinone,3-(4-hydroxyphenyl)-2-thioxo-
CAS Number:
21346-21-4
Molecular Formula:
C9H7NO2S2
Molecular Weight:
225.2874
MDL Number:
MFCD00595772
IUPAC Name:
3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C9H7NO2S2/c11-7-3-1-6(2-4-7)10-8(12)5-14-9(10)13/h1-4,11H,5H2
InChI Key:
YUUFJQSSWHKSBR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)N1C(=S)SCC1=O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.28g/mol
Monoisotopic Mass:
224.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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