chempirical

1-Phenyl-3-(2-thiazolyl)-2-thiourea

C10H9N3S2CAS 14901-16-7235.32 g/mol

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SHNNHNS
Thiol

Properties

Molecular formula
C10H9N3S2
Molar mass
235.32 g/mol
Exact mass
235.0238 Da
Melting point
129 °C
logP
3.17Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
14901-16-7
SMILES
SC(=Nc1ccccc1)Nc1nccs1
InChIKey
GCZZOZBWAZHCAN-UHFFFAOYSA-N
InChI
InChI=1S/C10H9N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)

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Names and synonyms

6 names
  • Thiourea, N-phenyl-N′-2-thiazolyl-
  • Urea, 1-phenyl-3-(2-thiazolyl)-2-thio-
  • N-Phenyl-N′-2-thiazolylthiourea
  • 1-Phenyl-3-(2-thiazolyl)thiourea
  • U 14624
  • NSC 139257

Work with 1-Phenyl-3-(2-thiazolyl)-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

Thiocarbanilide102-08-954 % similar 4-Phenylthiosemicarbazide5351-69-946 % similar N,N′,N′′-Triphenylguanidine101-01-935 % similar N-Phenylethanethioamide637-53-635 % similar Phthalylsulfathiazole85-73-434 % similar N,N′-Bis(2-methylphenyl)thiourea137-97-334 % similar 1,3-Diphenylurea102-07-833 % similar Forchlorfenuron68157-60-833 % similar

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

Elsewhere

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