N-(4-Chlorophenyl)thiourea

C₇H₇ClN₂SCAS 3696-23-9186.66 g/mol

Open in Covalent MOL file

Halogen Secondary Amine Sulfide

Properties

Molecular formula: C₇H₇ClN₂S
Molar mass: 186.66 g/mol
Exact mass: 186.0018 Da
Melting point: 183 °C
logP: 2.62Crippen estimate
Polar surface area: 35.9 Å²
H-bond donors / acceptors: 3 / 1
Rotatable bonds: 1

Identifiers

CAS number

3696-23-9

SMILES

N=C(S)Nc1ccc(Cl)cc1

InChIKey

XVEFWRUIYOXUGG-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClN2S/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

11 names

Thiourea, N-(4-chlorophenyl)-
Urea, 1-(p-chlorophenyl)-2-thio-
Thiourea, (4-chlorophenyl)-
p-Chlorophenylthiourea
N-(p-Chlorophenyl)thiourea
1-(p-Chlorophenyl)thiourea
1-(p-Chlorophenyl)-2-thiourea
4-Chlorophenylthiourea
1-(4-Chlorophenyl)thiourea
NSC 72217
N′-(4-Chlorophenyl)carbamimidothioic acid

Work with N-(4-Chlorophenyl)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

Same formula

N-(3-Chlorophenyl)thiourea4947-89-1 (2-Chlorophenyl)thiourea5344-82-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook