chempirical

N-(Phenylmethyl)thiourea

C8H10N2SCAS 621-83-0166.24 g/mol

Open in Covalent MOL file
HNHSNH
Thiol

Properties

Molecular formula
C8H10N2S
Molar mass
166.24 g/mol
Exact mass
166.0565 Da
Melting point
82–82.5 °C
logP
1.64Crippen estimate
Polar surface area
35.9 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
2

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
621-83-0
SMILES
N=C(S)NCc1ccccc1
InChIKey
UCGFRIAOVLXVKL-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2S/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)

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Names and synonyms

7 names
  • Thiourea, N-(phenylmethyl)-
  • Urea, 1-benzyl-2-thio-
  • Thiourea, (phenylmethyl)-
  • Benzylthiourea
  • N-Benzylthiourea
  • 1-Benzylthiourea
  • NSC 15510

Work with N-(Phenylmethyl)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

Benzylurea538-32-957 % similar Phenylthiosemicarbazide645-48-752 % similar Phenylthiocarbamide103-85-550 % similar N1,N2-Bis(phenylmethyl)ethanedithioamide122-65-650 % similar 1-Benzyl-3-methyl-2-thiourea2740-94-550 % similar Dibenzylamine103-49-144 % similar 1-Benzyl-3-phenyl-2-thiourea726-25-043 % similar Benzathine140-28-341 % similar

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

Same formula

N-Methyl-N′-phenylthiourea2724-69-8 N-Methyl-N-phenylthiourea4104-75-0 Ethionamide536-33-4 O-Tolylthiourea614-78-8 (3-Methylphenyl)thiourea621-40-9 (4-Methylphenyl)thiourea622-52-6

Elsewhere

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