2-(4-Methoxyphenoxy)ethanethioamide

C₉H₁₁NO₂SCAS 35370-92-4197.25 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₉H₁₁NO₂S
Molar mass: 197.25 g/mol
Exact mass: 197.0510 Da
logP: 1.36Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

35370-92-4

SMILES

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

InChIKey

ZJMUDUBPOVRRFX-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO2S/c1-11-7-2-4-8(5-3-7)12-6-9(10)13/h2-5H,6H2,1H3,(H2,10,13)

Weigh it out

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

Work with 2-(4-Methoxyphenoxy)ethanethioamide

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-Methoxyphenoxyacetic acid1877-75-450 % similar 4-Methoxybenzenecarbothioamide2362-64-350 % similar 2-(4-Methoxyphenoxy)ethylamine50800-92-547 % similar 3-(4-Methoxy-phenoxy)-propylamine100841-00-744 % similar 1,4-Dimethoxybenzene150-78-744 % similar 4-Methoxybenzamide3424-93-943 % similar 4-Methoxyphenyl glycidyl ether2211-94-142 % similar 4-Methoxyphenoxyacetonitrile22446-12-442 % 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 2,4-Dimethoxy-thiobenzamide23822-07-3 Beta-Phenylcysteine34317-61-8

Elsewhere

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