chempirical

3-Hydroxy-thiobenzamide

C7H7NOSCAS 104317-54-6153.20 g/mol

Open in Covalent MOL file
HOSNH2
Phenol

Properties

Molecular formula
C7H7NOS
Molar mass
153.20 g/mol
Exact mass
153.0248 Da
logP
1.03Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
104317-54-6
SMILES
C1=CC(=CC(=C1)O)C(=S)N
InChIKey
IDIHGRWUQGTNKS-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NOS/c8-7(10)5-2-1-3-6(9)4-5/h1-4,9H,(H2,8,10)

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Names and synonyms

1 names
  • 3-Hydroxybenzene-1-carbothioamide

Work with 3-Hydroxy-thiobenzamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Hydroxybenzohydrazide5818-06-449 % similar 3-Hydroxybenzoic acid99-06-948 % similar 3-Hydroxyacetophenone121-71-147 % similar 3-Hydroxybenzophenone13020-57-047 % similar Resorcinol108-46-346 % similar 3-Chloro-4-fluorothiobenzamide130560-97-343 % similar 3′-Hydroxypropiophenone13103-80-543 % similar Methyl 3-hydroxybenzoate19438-10-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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