chempirical

N-(2,4-Difluorophenyl)thiourea

C7H6F2N2SCAS 175277-76-6188.20 g/mol

Open in Covalent MOL file
NHHSHNFF
Aryl halideThiol

Properties

Molecular formula
C7H6F2N2S
Molar mass
188.20 g/mol
Exact mass
188.0220 Da
Melting point
168–170 °C
logP
2.24Crippen estimate
Polar surface area
35.9 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
1

Identifiers

CAS number
175277-76-6
SMILES
N=C(S)Nc1ccc(F)cc1F
InChIKey
DZZSKQFBAGZNSH-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F2N2S/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12)

Weigh it out

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

Names and synonyms

5 names
  • Thiourea, N-(2,4-difluorophenyl)-
  • Thiourea, (2,4-difluorophenyl)-
  • NSC 370368
  • 1-(2,4-Difluorophenyl)-2-thiourea
  • (2,4-Difluorophenyl)thiourea

Work with N-(2,4-Difluorophenyl)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-(2-Fluorophenyl)thiourea656-32-662 % similar N-(4-Fluorophenyl)thiourea459-05-256 % similar 1-(2,4-Difluorophenyl)biguanide hydrochloride66088-52-650 % similar N-(2,4-Dimethylphenyl)thiourea16738-20-845 % similar (2-Chlorophenyl)thiourea5344-82-145 % similar N-[2-(Trifluoromethyl)phenyl]thiourea1736-71-641 % similar O-Tolylthiourea614-78-841 % similar 2,4-Difluorobenzamide85118-02-141 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook