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181875-13-8 | Benzenecarbothioamide, 2,4-dihydroxy-N-phenyl-
CAS No: 181875-13-8 Catalog No: AG00236G MDL No:
Product Description
Catalog Number:
AG00236G
Chemical Name:
Benzenecarbothioamide, 2,4-dihydroxy-N-phenyl-
CAS Number:
181875-13-8
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
IUPAC Name:
2,4-dihydroxy-N-phenylbenzenecarbothioamide
InChI:
InChI=1S/C13H11NO2S/c15-10-6-7-11(12(16)8-10)13(17)14-9-4-2-1-3-5-9/h1-8,15-16H,(H,14,17)
InChI Key:
KPRQDELTVBEFIG-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C(=S)Nc1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.296g/mol
Monoisotopic Mass:
245.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Lipophilicity parameter from high-performance liquid chromatography on an immobilized artificial membrane column and its relationships to bioactivity of the group of 2,4-dihydroxythiobenzanilides. | Acta poloniae pharmaceutica 20020101 |
| 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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