2,4-Dimethoxy-thiobenzamide

C₉H₁₁NO₂SCAS 23822-07-3197.25 g/mol

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Ether

Properties

Molecular formula: C₉H₁₁NO₂S
Molar mass: 197.25 g/mol
Exact mass: 197.0510 Da
logP: 1.34Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

23822-07-3

SMILES

COC1=CC(=C(C=C1)C(=S)N)OC

InChIKey

KYGPUPQKDUNOLW-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO2S/c1-11-6-3-4-7(9(10)13)8(5-6)12-2/h3-5H,1-2H3,(H2,10,13)

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Names and synonyms

1 names

2,4-Dimethoxythiobenzamide

Work with 2,4-Dimethoxy-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

4-Methoxybenzenecarbothioamide2362-64-356 % similar 2′,4′-Dimethoxyacetophenone829-20-954 % similar Methyl 2,4-dimethoxybenzoate2150-41-653 % similar 2,4-Dimethoxybenzoic acid91-52-153 % similar 1-(2,4-Dimethoxyphenyl)-2-thiourea35696-77-653 % similar 1,2,4-Trimethoxybenzene135-77-350 % similar 2,4-Dimethoxyaniline2735-04-850 % similar 2-Bromo-1-(2,4-dimethoxyphenyl)ethanone60965-26-649 % similar

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

Same formula

2-(Propylthio)nicotinic acid175135-22-5 2-Amino-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carboxylic acid methyl ester184174-80-9 Beta-Phenylcysteine34317-61-8 2-(4-Methoxyphenoxy)ethanethioamide35370-92-4

Elsewhere

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