Basic information
- CAS
4275-32-5- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCSCCOC(=O)CCCCCCCCCCCCCCCCC- InChIKey
TVMWUKISXDJCQQ-UHFFFAOYSA-N- Molecular formula
- C40H78O4S
- Average molar mass
- 655.1 g/mol
- Monoisotopic mass
- 654.56208214
Names & identifiers
- Preferred name
- Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester
- IUPAC
- 2-(2-octadecanoyloxyethylsulfanyl)ethyl octadecanoate
- English name
- Dioctadecanoic acid thiobis(2,1-ethanediyl) ester
- Molecular formula
- C40H78O4S
- Molecular weight
- 655.11
Names & synonyms
Octadecanoic acid, thiodi-2,1-ethanediyl esterOctadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) esterRefChem:855551Thiodiglycol distearate4275-32-5Thiobis(ethane-2,1-diyl) distearateDioctadecanoic acid thiobis(2,1-ethanediyl) esterDTXSID8063389TVMWUKISXDJCQQ-UHFFFAOYSA-NSulfanediyldi(ethane-2,1-diyl) dioctadecanoate
Database identifiers
- CAS
4275-32-5- PubChem CID
- 77959
- DTXSID
DTXSID8063389- Nikkaji
- J421.716K
Properties
Computed structural properties
- XLogP
- 17.5
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 40
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 547
Physicochemical properties
- Boiling point
- 685.3 · 685.3±40.0 °C(Predicted)
- Density
- 0.923 · 0.923±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- Thiodiglycol distearate (4275-32-5)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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