chempirical

Pentachlorobenzenethiol

C6HCl5SCAS 133-49-3282.38 g/mol

Open in Covalent MOL file
HSClClClClCl
Aryl halideThiol

Properties

Molecular formula
C6HCl5S
Molar mass
282.38 g/mol
Exact mass
279.8242 Da
Melting point
240 °C
logP
5.24Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
133-49-3
SMILES
Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIKey
LLMLGZUZTFMXSA-UHFFFAOYSA-N
InChI
InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

Weigh it out

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

Names and synonyms

8 names
  • Benzenethiol, 2,3,4,5,6-pentachloro-
  • Benzenethiol, pentachloro-
  • 2,3,4,5,6-Pentachlorobenzenethiol
  • RPA 6
  • Pentachlorothiophenol
  • AP
  • Struktol A 95
  • NSC 5578

Work with Pentachlorobenzenethiol

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

2,3,5,6-Tetrachloro-4-pyridinethiol10351-06-153 % similar Hexachlorobenzene118-74-150 % similar Octachloronaphthalene2234-13-140 % similar 2,6-Dichlorobenzenethiol24966-39-035 % similar Tetrachlorocatechol1198-55-633 % similar Bis(2,3,4,5,6-pentachlorophenyl) disulfide22441-21-033 % similar Pentachloroaniline527-20-833 % similar Pentachlorophenol87-86-533 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia