N-Methyl-N-phenylthiourea

C₈H₁₀N₂SCAS 4104-75-0166.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₀N₂S
Molar mass: 166.24 g/mol
Exact mass: 166.0565 Da
Melting point: 106–108 °C
logP: 1.99Crippen estimate
Polar surface area: 27.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

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

4104-75-0

SMILES

CN(C(=N)S)c1ccccc1

InChIKey

MCWZNJNWGQPUGL-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N2S/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)

Weigh it out

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Names and synonyms

4 names

Thiourea, N-methyl-N-phenyl-
Urea, 1-methyl-1-phenyl-2-thio-
1-Methyl-1-phenylthiourea
NSC 87749

Work with N-Methyl-N-phenylthiourea

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

Centralite II611-92-750 % similar N-Methylacetanilide579-10-247 % similar 2-Chloro-N-methyl-N-phenylacetamide2620-05-544 % similar Ethyl methyl(phenyl)carbamate2621-79-639 % similar Dimethylaniline121-69-739 % similar N-Methyl-N-phenylbenzenamine552-82-939 % similar Thiobenzamide2227-79-435 % similar N-Methyl-N-phenyl-hydrazine618-40-635 % similar

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

Same formula

N-Methyl-N′-phenylthiourea2724-69-8 Ethionamide536-33-4 O-Tolylthiourea614-78-8 (3-Methylphenyl)thiourea621-40-9 N-(Phenylmethyl)thiourea621-83-0 (4-Methylphenyl)thiourea622-52-6

Elsewhere

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