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208991-58-6 | Benzoic acid, 5-[[(2,4-dihydroxyphenyl)thioxomethyl]amino]-2-hydroxy-
CAS No: 208991-58-6 Catalog No: AG002JZU MDL No:
Product Description
Catalog Number:
AG002JZU
Chemical Name:
Benzoic acid, 5-[[(2,4-dihydroxyphenyl)thioxomethyl]amino]-2-hydroxy-
CAS Number:
208991-58-6
Molecular Formula:
C14H11NO5S
Molecular Weight:
305.3058
IUPAC Name:
5-[(2,4-dihydroxybenzenecarbothioyl)amino]-2-hydroxybenzoic acid
InChI:
InChI=1S/C14H11NO5S/c16-8-2-3-9(12(18)6-8)13(21)15-7-1-4-11(17)10(5-7)14(19)20/h1-6,16-18H,(H,15,21)(H,19,20)
InChI Key:
YUVMNIVRVHKCDR-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C(=S)Nc1ccc(c(c1)C(=O)O)O
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.036g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
305.304g/mol
Monoisotopic Mass:
305.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| In vitro evaluation of 2,4-dihydroxythiobenzanilides against various moulds. | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20010601 |
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