1-(2,4-Dimethoxyphenyl)-2-thiourea

C₉H₁₂N₂O₂SCAS 35696-77-6212.27 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₉H₁₂N₂O₂S
Molar mass: 212.27 g/mol
Exact mass: 212.0619 Da
logP: 1.36Crippen estimate
Polar surface area: 56.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed83.3% of notifiers
H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

35696-77-6

SMILES

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

InChIKey

ABBNWHMKEWXTNO-UHFFFAOYSA-N

InChI

InChI=1S/C9H12N2O2S/c1-12-6-3-4-7(11-9(10)14)8(5-6)13-2/h3-5H,1-2H3,(H3,10,11,14)

Weigh it out

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

Names and synonyms

1 names

N-(2,4-Dimethoxyphenyl)thiourea

Work with 1-(2,4-Dimethoxyphenyl)-2-thiourea

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

2,4-Dimethoxy-thiobenzamide23822-07-353 % similar 2,4-Dimethoxyaniline2735-04-846 % similar 1,2,4-Trimethoxybenzene135-77-346 % similar 5-Methoxyisatin39755-95-843 % similar 2,5-Dimethoxyaniline102-56-742 % similar 2,4-Dichlorophenylthiourea6326-14-342 % similar 2,4-Dimethoxybenzylamine20781-20-841 % similar 2,4-Dimethoxybenzonitrile4107-65-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2,5-Dimethoxyphenyl)thiourea67617-98-5 Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate7234-25-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook