3,8-Dithiadecane
Basic information
- CAS
54576-32-8- Standard SMILES
CCSCCCCSCC- InChIKey
VWVDTVNQHHSYBD-UHFFFAOYSA-N- Molecular formula
- C8H18S2
- Average molar mass
- 178.4 g/mol
- Monoisotopic mass
- 178.08499292
Names & identifiers
- Preferred name
- 3,8-Dithiadecane
- IUPAC
- 1,4-bis(ethylsulfanyl)butane
- English name
- 3,8-Dithiadecane
- Molecular formula
- C8H18S2
- Molecular weight
- 178.36
Names & synonyms
3,8-Dithiadecane54576-32-8Butane, 1,4-bis(ethylthio)-1,4-bis(ethylthio)butaneNSC-163280IC01N3V65RUNII-IC01N3V65RDTXSID3022293RefChem:91928DTXCID502293654-696-1VWVDTVNQHHSYBD-UHFFFAOYSA-N
Show more names
3 8-DITHIADECANE 97%Tetramethylenebis(ethyl sulfide)
1,4-Bis(ethylsulfanyl)butaneButane,1,4-bis(ethylthio)-1,4-diethylthiobutaneNSC163280Butane,4-bis(ethylthio)-SCHEMBL285371771,4-Bis(ethylsulfanyl)butane #SBB061079
Database identifiers
- CAS
54576-32-8- PubChem CID
- 294545
- DTXSID
DTXSID3022293- UNII
- IC01N3V65R
- EC Number
- 654-696-1
- Nikkaji
- J102.653D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 47.2
Physicochemical properties
- Boiling point
- 245.2 · 245.2±23.0 °C(Predicted)
- Density
- 0.946 · 0.946±0.06 g/cm3(Predicted)
- FDA UNII
- 1 N3V65R · IC01N3V65R
- Hazard statements
- 413 · H413
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…