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6322-60-7 | 4-(4-OXO-2-THIOXO-THIAZOLIDIN-3-YL)-BENZOIC ACID
CAS No: 6322-60-7 Catalog No: AG00F3NZ MDL No:MFCD00086931
Product Description
Catalog Number:
AG00F3NZ
Chemical Name:
4-(4-OXO-2-THIOXO-THIAZOLIDIN-3-YL)-BENZOIC ACID
CAS Number:
6322-60-7
Molecular Formula:
C10H7NO3S2
Molecular Weight:
253.2975
MDL Number:
MFCD00086931
IUPAC Name:
4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
InChI:
InChI=1S/C10H7NO3S2/c12-8-5-16-10(15)11(8)7-3-1-6(2-4-7)9(13)14/h1-4H,5H2,(H,13,14)
InChI Key:
GYORTKHHBDTZHY-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1c1ccc(cc1)C(=O)O
NSC Number:
32119
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.987g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.29g/mol
Monoisotopic Mass:
252.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41. | Journal of medicinal chemistry 20081225 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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