chempirical

N-(3,4-Dichlorophenyl)thiourea

C7H6Cl2N2SCAS 19250-09-0221.10 g/mol

Open in Covalent MOL file
NHHSHNClCl
Aryl halideThiol

Properties

Molecular formula
C7H6Cl2N2S
Molar mass
221.10 g/mol
Exact mass
219.9629 Da
Melting point
203–204 °C
logP
3.27Crippen estimate
Polar surface area
35.9 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
1

Identifiers

CAS number
19250-09-0
SMILES
N=C(S)Nc1ccc(Cl)c(Cl)c1
InChIKey
CCNCITSJXCSXJY-UHFFFAOYSA-N
InChI
InChI=1S/C7H6Cl2N2S/c8-5-2-1-4(3-6(5)9)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-(3,4-dichlorophenyl)-
  • Urea, 1-(3,4-dichlorophenyl)-2-thio-
  • Thiourea, (3,4-dichlorophenyl)-
  • (3,4-Dichlorophenyl)thiourea
  • Amino[(3,4-dichlorophenyl)amino]methane-1-thione

Work with N-(3,4-Dichlorophenyl)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-Chlorophenyl)thiourea3696-23-959 % similar N-(3-Chlorophenyl)thiourea4947-89-159 % similar (2-Chlorophenyl)thiourea5344-82-156 % similar (3-Methylphenyl)thiourea621-40-953 % similar Phenylthiocarbamide103-85-550 % similar N-(4-Hydroxyphenyl)thiourea1520-27-050 % similar N-[4-(Dimethylamino)phenyl]thiourea22283-43-850 % similar N-(4-Bromophenyl)thiourea2646-30-250 % similar

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

Same formula

3,5-Dichlorophenylthiourea107707-33-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook