4,7-Dithiadecane
Basic information
- CAS
22037-97-4- Standard SMILES
CCCSCCSCCC- InChIKey
NUFUGDJGRYGRTL-UHFFFAOYSA-N- Molecular formula
- C8H18S2
- Average molar mass
- 178.4 g/mol
- Monoisotopic mass
- 178.08499292
Names & identifiers
- Preferred name
- 4,7-Dithiadecane
- IUPAC
- 1-(2-propylsulfanylethylsulfanyl)propane
- English name
- 1-(2-propylsulfanylethylsulfanyl)propane
- Molecular formula
- C8H18S2
- Molecular weight
- 178.36
Names & synonyms
4,7-dithiadecane22037-97-4DTXSID8021698RefChem:286100DTXCID201698654-689-31,2-Bis(propylthio)ethanepropane, 1,1'-[1,2-ethanediylbis(thio)]bis-1-{[2-(propylsulfanyl)ethyl]sulfanyl}propaneNSC1632811,1'-[ethane-1,2-diylbis(thio)]dipropaneSCHEMBL778049
Show more names
1-(2-propylsulfanylethylsulfanyl)propane
SCHEMBL918953MFCD00027128AKOS0243322291-{[2-(propylthio)ethyl]thio}propaneNSC-163281SY312422
Database identifiers
- CAS
22037-97-4- PubChem CID
- 294546
- DTXSID
DTXSID8021698- EC Number
- 654-689-3
- Nikkaji
- J481.543B
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 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 38 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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