chempirical

4,5-Dichloro-1,2-dithiol-3-one

C3Cl2OS2CAS 1192-52-5187.05 g/mol

Open in Covalent MOL file
OSSClCl
Aryl halide

Properties

Molecular formula
C3Cl2OS2
Molar mass
187.05 g/mol
Exact mass
185.8768 Da
Melting point
61 °C
Boiling point
125 °C (at 11 Torr)
logP
2.48Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
1192-52-5
SMILES
O=c1ssc(Cl)c1Cl
InChIKey
QGSRKGWCQSATCL-UHFFFAOYSA-N
InChI
InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6

Weigh it out

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

Names and synonyms

13 names · show all
  • 3H-1,2-Dithiol-3-one, 4,5-dichloro-
  • 1,2-Dithiol-3-one, dichloro-
  • 4,5-Dichloro-3H-1,2-dithiol-3-one
  • 4,5-Dichloro-1,2-dithiacyclopentenone
  • HR 45
  • NSC 135976
  • Dithiol
  • Daracide 7816
  • RYH 86
  • RYH 86Ex
  • Daracide 816-12
  • Daracide 7802
  • Microban 86

Work with 4,5-Dichloro-1,2-dithiol-3-one

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

2,3,4,5-Tetrachlorothiophene6012-97-136 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook