chempirical

N-(4-Bromophenyl)thiourea

C7H7BrN2SCAS 2646-30-2231.11 g/mol

Open in Covalent MOL file
NHHSHNBr
Aryl halideThiol

Properties

Molecular formula
C7H7BrN2S
Molar mass
231.11 g/mol
Exact mass
229.9513 Da
Melting point
223 °C
logP
2.73Crippen estimate
Polar surface area
35.9 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
1

Identifiers

CAS number
2646-30-2
SMILES
N=C(S)Nc1ccc(Br)cc1
InChIKey
MRVQULNOKCOGHC-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrN2S/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

9 names
  • Thiourea, N-(4-bromophenyl)-
  • Urea, 1-(p-bromophenyl)-2-thio-
  • Thiourea, (4-bromophenyl)-
  • p-Bromophenylthiourea
  • N-p-Bromophenylthiourea
  • 4-Bromophenylthiourea
  • 1-(4-Bromophenyl)thiourea
  • NSC 3404
  • NSC 72167

Work with N-(4-Bromophenyl)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-Hydroxyphenyl)thiourea1520-27-066 % 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 N-[4-(Dimethylamino)phenyl]thiourea22283-43-855 % similar (4-Methoxyphenyl)thiourea2293-07-455 % similar 4-[(Aminothioxomethyl)amino]benzoic acid7366-56-551 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook