(2,5-Dimethoxyphenyl)thiourea

C9H12N2O2SCAS 67617-98-5212.27 g/mol

Open in Covalent MOL file
OOHNSNH2
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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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)

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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

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