4-Hydroxythiobenzamide

C₇H₇NOSCAS 25984-63-8153.20 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed14.6% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction81.2% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

25984-63-8

SMILES

C1=CC(=CC=C1C(=S)N)O

InChIKey

VDTNKXSVUGXUOJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NOS/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Hydroxythiobenzamide

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

4-Bromothiobenzamide26197-93-362 % similar 4-Aminobenzenecarbothioamide4714-67-458 % similar 4-Fluorothiobenzamide22179-72-256 % similar 4-Methylbenzenecarbothioamide2362-62-156 % similar 4-Chlorothiobenzamide2521-24-656 % similar 4-Pyridinecarbothioamide2196-13-652 % similar 4-Hydroxybenzamide619-57-852 % similar 4-(Trifluoromethyl)benzenecarbothioamide72505-21-652 % similar

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

Same formula

3-Hydroxy-thiobenzamide104317-54-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook