(2,5-Dimethoxyphenyl)thiourea

C₉H₁₂N₂O₂SCAS 67617-98-5212.27 g/mol

Open in Covalent MOL file

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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

67617-98-5

SMILES

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

InChIKey

ZLGQKHQZDDTIFW-UHFFFAOYSA-N

InChI

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

1-(2,5-Dimethoxyphenyl)-2-thiourea

Work with (2,5-Dimethoxyphenyl)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-thiobenzamide23822-07-349 % similar 2,5-Dimethoxyaniline102-56-746 % similar 1,2,4-Trimethoxybenzene135-77-346 % similar 6-Methoxy-2,3-dioxyindole52351-75-443 % similar 2,5-Dimethoxybenzhydrazide17894-25-642 % similar 2,5-Dimethoxytoluene24599-58-442 % similar 2,4-Dimethoxyaniline2735-04-842 % similar 2,5-Dimethoxybenzenemethanamine3275-95-441 % similar

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

Same formula

1-(2,4-Dimethoxyphenyl)-2-thiourea35696-77-6 Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate7234-25-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook