4,5-Ethylenedithio-1,3-dithiole-2-thione
Basic information
- CAS
59089-89-3- Standard SMILES
S=c1sc2c(s1)SCCS2- InChIKey
LFPIFRGVCYRUEO-UHFFFAOYSA-N- Molecular formula
- C5H4S5
- Average molar mass
- 224.4 g/mol
- Monoisotopic mass
- 223.891656
Names & identifiers
- Preferred name
- 4,5-Ethylenedithio-1,3-dithiole-2-thione
- IUPAC
- 5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
- English name
- 4,5-ETHYLENEDITHIO-1,3-DITHIOLE-2-THIONE
- Molecular formula
- C5H4S5
- Molecular weight
- 224.42
Names & synonyms
4,5-Ethylenedithio-1,3-dithiole-2-thione59089-89-3DTXSID60326950RefChem:1069413DTXCID802780634,5-Ethylenedithio-1,3-dithiol-2-thione5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thioneMFCD001378825,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiine-2-thioneNSC672798Ethylene-dimercaptoisotrithioneC5H4S5
Show more names
AKOS 92829RARECHEM AR PA 0059Ethylenedithiodithiolethione5,6-Ethylenedihydro-1,3-dithiole-2-thione4,5-Ethylenedithio-1,3-dithiole-2-thione>4,5-ETHYLENEDITHIO-1,3-DITHIOLE-2-THIONE 98+%2,5,7,9-Tetrathiabicyclo[4.3.0]nona-1(6)-ene-8-thione
SCHEMBL83133325,6-Dihydro-1,3-dithiolo[4,5-b][1,4]dithiin-2-thioneLFPIFRGVCYRUEO-UHFFFAOYSA-NHMS1787G15NSC623692STL363213AKOS000281181NSC-623692
Database identifiers
- CAS
59089-89-3- PubChem CID
- 360963
- DTXSID
DTXSID60326950- Nikkaji
- J1.281.157H、J150.731A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 123 · 123-126 °C(lit.)
- Boiling point
- 359 · 359.0±52.0 °C(Predicted)
- Density
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- form
- powder to crystal
- color
- Light yellow to Brown
- CAS DataBase Reference
- 59089 · 59089-89-3(CAS DataBase Reference)
- WGK Germany
- 3 · 3
- HS Code
- 2934.99 · 2934.99.4400
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2934.99.4400
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Compound notes
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