chempirical

N-(4-Hydroxyphenyl)thiourea

C7H8N2OSCAS 1520-27-0168.21 g/mol

Open in Covalent MOL file
NHHSHNOH
PhenolThiol

Properties

Molecular formula
C7H8N2OS
Molar mass
168.21 g/mol
Exact mass
168.0357 Da
Melting point
214 °C
logP
1.67Crippen estimate
Polar surface area
56.1 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
1

Identifiers

CAS number
1520-27-0
SMILES
N=C(S)Nc1ccc(O)cc1
InChIKey
QICKOOCQSYZYQB-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2OS/c8-7(11)9-5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9,11)

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

Names and synonyms

9 names
  • Thiourea, N-(4-hydroxyphenyl)-
  • Urea, 1-(p-hydroxyphenyl)-2-thio-
  • Thiourea, (4-hydroxyphenyl)-
  • p-Hydroxyphenylthiourea
  • 4-Hydroxyphenylthiourea
  • 4-Thioureidophenol
  • NSC 43638
  • 1-(4-Hydroxyphenyl)thiourea
  • 1-(4-Hydroxyphenyl)-2-thiourea

Work with N-(4-Hydroxyphenyl)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

N-(4-Bromophenyl)thiourea2646-30-266 % similar Phenylthiocarbamide103-85-561 % similar N-(4-Chlorophenyl)thiourea3696-23-960 % similar N-(4-Fluorophenyl)thiourea459-05-260 % similar (4-Methylphenyl)thiourea622-52-660 % similar 4-[(Aminothioxomethyl)amino]benzoic acid7366-56-556 % similar N-[4-(Dimethylamino)phenyl]thiourea22283-43-855 % similar (4-Methoxyphenyl)thiourea2293-07-455 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook