chempirical

4-Phenylthiosemicarbazide

C7H9N3SCAS 5351-69-9167.23 g/mol

Open in Covalent MOL file
H2NNHHSN
Primary amineThiol

Properties

Molecular formula
C7H9N3S
Molar mass
167.23 g/mol
Exact mass
167.0517 Da
Density
1.32 g/mL
Melting point
150–151 °C
logP
1.07Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Identifiers

CAS number
5351-69-9
SMILES
NNC(S)=Nc1ccccc1
InChIKey
KKIGUVBJOHCXSP-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N3S/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)

Weigh it out

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

Names and synonyms

12 names
  • Hydrazinecarbothioamide, N-phenyl-
  • Semicarbazide, 4-phenyl-3-thio-
  • N-Phenylhydrazinecarbothioamide
  • 4-Phenyl-3-thiosemicarbazide
  • Phenylthiosemicarbazide
  • N-Phenylthiosemicarbazide
  • N1-Phenylthiosemicarbazide
  • NSC 58946
  • NSC 704
  • 4-Phenylhydrazinethiocarbamide
  • 1-Amino-3-phenylthiourea
  • 3-Amino-1-phenylthiourea

Work with 4-Phenylthiosemicarbazide

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

N-(2-Methylphenyl)hydrazinecarbothioamide614-10-861 % similar Thiocarbanilide102-08-960 % similar N-(2-Methoxyphenyl)hydrazinecarbothioamide40207-02-156 % similar 4-Benzylthiosemicarbazide13431-41-955 % similar N-[3,5-Bis(trifluoromethyl)phenyl]hydrazinecarbothioamide38901-31-453 % similar N-(2,6-Dimethylphenyl)hydrazinecarbothioamide71058-35-053 % similar N-(2-Nitrophenyl)hydrazinecarbothioamide73305-12-151 % similar 1-Phenyl-3-(2-thiazolyl)-2-thiourea14901-16-746 % similar

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

Same formula

Phenylthiosemicarbazide645-48-7

Elsewhere

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