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1234-18-0 | Benzoic acid, 3-[[(3-carboxyphenyl)sulfonyl]thio]-
CAS No: 1234-18-0 Catalog No: AG000KIT MDL No:
Product Description
Catalog Number:
AG000KIT
Chemical Name:
Benzoic acid, 3-[[(3-carboxyphenyl)sulfonyl]thio]-
CAS Number:
1234-18-0
Molecular Formula:
C14H10O6S2
Molecular Weight:
338.3556
IUPAC Name:
3-(3-carboxyphenyl)sulfonylsulfanylbenzoic acid
InChI:
InChI=1S/C14H10O6S2/c15-13(16)9-3-1-5-11(7-9)21-22(19,20)12-6-2-4-10(8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChI Key:
ZLXBDOQCIJHJQV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)SS(=O)(=O)c1cccc(c1)C(=O)O
NSC Number:
342015
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.992g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.348g/mol
Monoisotopic Mass:
337.992g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Evaluation of selected chemotypes in coupled cellular and molecular target-based screens identifies novel HIV-1 zinc finger inhibitors. | Journal of medicinal chemistry 19960913 |
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