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259812-55-0 | 3-(4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)BENZOIC ACID
CAS No: 259812-55-0 Catalog No: AG00C14S MDL No:MFCD01184188
Product Description
Catalog Number:
AG00C14S
Chemical Name:
3-(4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)BENZOIC ACID
CAS Number:
259812-55-0
Molecular Formula:
C10H7NO3S2
Molecular Weight:
253.2975
MDL Number:
MFCD01184188
IUPAC Name:
3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
InChI:
InChI=1S/C10H7NO3S2/c12-8-5-16-10(15)11(8)7-3-1-2-6(4-7)9(13)14/h1-4H,5H2,(H,13,14)
InChI Key:
QBQQLAKCTHTRAQ-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1c1cccc(c1)C(=O)O
NSC Number:
190632
Properties
Complexity:
345
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 |
|---|---|
| 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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