Decane, 1,1'-thiobis-
Basic information
- CAS
693-83-4- Standard SMILES
CCCCCCCCCCSCCCCCCCCCC- InChIKey
RKYMVQJWYYOIJB-UHFFFAOYSA-N- Molecular formula
- C20H42S
- Average molar mass
- 314.6 g/mol
- Monoisotopic mass
- 314.30072251
Names & identifiers
- Preferred name
- Decane, 1,1'-thiobis-
- IUPAC
- 1-decylsulfanyldecane
- English name
- DI-N-DECYL SULFIDE
- Molecular formula
- C20H42S
- Molecular weight
- 314.61
Names & synonyms
Decyl sulfideDecane, 1,1'-thiobis-11-Thiaheneicosane1,1'-Thiobis[decane]EINECS 211-761-5NSC 408645AI3-12173DTXSID80610061,1'-Thiobis(decane)Dindecyl sulfide11ThiaheneicosaneDecane, 1,1'thiobis
Show more names
N-DECYLSULPIDEBisdecyl sulfidedidecyl sulphiden-Decyl sulphide
Decyl sulfide (8CI)RefChem:585365DTXCID4046490di-n-Decyl sulfide693-83-4didecylsulfaneDidecyl sulfiden-Decyl sulfide
Database identifiers
- CAS
693-83-4- PubChem CID
- 69662
- DTXSID
DTXSID8061006- UNII
- SP355V2BWY
- EC Number
- 211-761-5
- Nikkaji
- J97.231B
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 18
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
Physical DescriptionSolid; mp = 24-26 deg C; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 24 · 24-26°C
- Boiling point
- 217 · 217-218°C 8mm
- Density
- 0.8823 · 0.8823 (estimate)
- refractive index
- 1.473 · 1.4730 (estimate)
- Flash point
- 217 · 217-218°C/8mm
- BRN
- 1763427 · 1763427
- CAS DataBase Reference
- 693 · 693-83-4(CAS DataBase Reference)
- FDA UNII
- 355 V2BWY · SP355V2BWY
- EPA Substance Registry System
- 1 · Decane, 1,1'-thiobis- (693-83-4)
- Safety Statements
- 24 · 24/25
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Di-n-octyl sulfide.
Safety data
- tsca
- TSCA listed
- safety_code
- 24/25
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDecane, 1,1'-thiobis-: INACTIVE
Applications
UsesOrganic synthesis (formation of sulfonium compounds).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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