chempirical

N-(4-Fluorophenyl)thiourea

C7H7FN2SCAS 459-05-2170.21 g/mol

Open in Covalent MOL file
NHHSHNF
Aryl halideThiol

Properties

Molecular formula
C7H7FN2S
Molar mass
170.21 g/mol
Exact mass
170.0314 Da
Melting point
164 °C
logP
2.10Crippen estimate
Polar surface area
35.9 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
1

Identifiers

CAS number
459-05-2
SMILES
N=C(S)Nc1ccc(F)cc1
InChIKey
BRWKXKNZRVALNZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)

Weigh it out

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

Names and synonyms

6 names
  • Thiourea, N-(4-fluorophenyl)-
  • Urea, 1-(p-fluorophenyl)-2-thio-
  • Thiourea, (4-fluorophenyl)-
  • p-Fluorophenylthiourea
  • (4-Fluorophenyl)thiourea
  • 1-(4-Fluorophenyl)thiourea

Work with N-(4-Fluorophenyl)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

Phenylthiocarbamide103-85-561 % similar N-(4-Hydroxyphenyl)thiourea1520-27-060 % similar N-(4-Bromophenyl)thiourea2646-30-260 % similar N-(4-Chlorophenyl)thiourea3696-23-960 % similar (4-Methylphenyl)thiourea622-52-660 % similar N-(2,4-Difluorophenyl)thiourea175277-76-656 % 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

Same formula

N-(2-Fluorophenyl)thiourea656-32-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook