chempirical

Phenylthiocarbamide

C7H8N2SCAS 103-85-5152.21 g/mol

Open in Covalent MOL file
NHHSHN
Thiol

Properties

Molecular formula
C7H8N2S
Molar mass
152.21 g/mol
Exact mass
152.0408 Da
Density
1.3 g/mL
Melting point
154 °C
logP
1.96Crippen estimate
Polar surface area
35.9 Ų
H-bond donors / acceptors
3 / 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
103-85-5
SMILES
N=C(S)Nc1ccccc1
InChIKey
FULZLIGZKMKICU-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)

Weigh it out

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Names and synonyms

13 names · show all
  • Thiourea, N-phenyl-
  • Urea, 1-phenyl-2-thio-
  • Thiourea, phenyl-
  • N-Phenylthiourea
  • 1-Phenyl-2-thiourea
  • Phenylthiourea
  • PTU
  • U 6324
  • 1-Phenylthiourea
  • α-Phenylthiourea
  • NSC 5779
  • Phenyl-2-thiourea
  • N-Phenylthiocarbamide

Reactions

Work with Phenylthiocarbamide

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

(3-Methylphenyl)thiourea621-40-963 % similar Phenylthiosemicarbazide645-48-763 % similar N-(4-Hydroxyphenyl)thiourea1520-27-061 % similar N-(4-Bromophenyl)thiourea2646-30-261 % similar N-(4-Chlorophenyl)thiourea3696-23-961 % similar N-(4-Fluorophenyl)thiourea459-05-261 % similar (4-Methylphenyl)thiourea622-52-661 % similar N-3-Pyridinylthiourea30162-37-960 % similar

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

Same formula

2-Methyl-5,7-dihydrothieno[3,4-d]pyrimidine36267-71-7 4-Aminobenzenecarbothioamide4714-67-4

Elsewhere

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