chempirical

Pentachlorothiophenol zinc salt

C12Cl10S2ZnCAS 117-97-5628.13 g/mol

Open in Covalent MOL file
S−ClClClClClS−ClClClClClZn2+
Aryl halideThiol

Properties

Molecular formula
C12Cl10S2Zn
Molar mass
628.13 g/mol
Exact mass
621.5618 Da
logP
5.24Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
117-97-5
SMILES
[S-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[S-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[Zn+2]
InChIKey
XCPAVPRPNMYCDD-UHFFFAOYSA-N
InChI
InChI=1S/C6HCl5S.Zn/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;

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

Names and synonyms

15 names · show all
  • Benzenethiol, 2,3,4,5,6-pentachloro-, zinc salt (2:1)
  • Benzenethiol, pentachloro-, zinc salt
  • Zinc, bis[(pentachlorophenyl)thio]-
  • Benzenethiol, pentachloro-, Zn deriv.
  • Saginol
  • Zinc pentachlorothiophenate
  • Renacit IV
  • Pentachlorobenzenethiol zinc salt
  • Renacit 4
  • Reptazin zn
  • Endor
  • Zinc pentachlorothiophenolate
  • Zinc pentachlorothiophenol
  • Dansof Z
  • Rhenogran zn-PCTP 70

Work with Pentachlorothiophenol zinc salt

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

Hexachlorobenzene118-74-140 % similar Octachloronaphthalene2234-13-133 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook