1-Benzyl-3-phenyl-2-thiourea

C₁₄H₁₄N₂SCAS 726-25-0242.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₄N₂S
Molar mass: 242.34 g/mol
Exact mass: 242.0878 Da
logP: 3.17Crippen estimate
Polar surface area: 24.1 Å²
H-bond donors / acceptors: 2 / 1
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

726-25-0

SMILES

C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2

InChIKey

NXCBDDGSOXJEFZ-UHFFFAOYSA-N

InChI

InChI=1S/C14H14N2S/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)

Weigh it out

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

Work with 1-Benzyl-3-phenyl-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

N1,N2-Bis(phenylmethyl)ethanedithioamide122-65-657 % similar Benzylaniline103-32-247 % similar 1-Phenyl-2-thiobiuret53555-72-946 % similar Benzylurea538-32-944 % similar N-(Phenylmethyl)thiourea621-83-043 % similar Dibenzylamine103-49-141 % similar 1-Benzyl-3-methyl-2-thiourea2740-94-539 % similar Benzathine140-28-339 % similar

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

Same formula

1-Benzhydryl-2-thiourea92192-94-4

Elsewhere

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