Basic information
- CAS
68092-48-8- Standard SMILES
CCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCC)(COC(=O)CCSCCCCCC)COC(=O)CCSCCCCCC- InChIKey
CNIAMBARISEYEW-UHFFFAOYSA-N- Molecular formula
- C41H76O8S4
- Average molar mass
- 825.3 g/mol
- Monoisotopic mass
- 824.44230407
Names & identifiers
- Preferred name
- Propanoic acid, 3-(hexylthio)-, 1,1'-(2,2-bis((3-(hexylthio)-1-oxopropoxy)methyl)-1,3-propanediyl) ester
- IUPAC
- [3-(3-hexylsulfanylpropanoyloxy)-2,2-bis(3-hexylsulfanylpropanoyloxymethyl)propyl] 3-hexylsulfanylpropanoate
- English name
- 2,2-bis[[3-(hexylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(hexylthio)propionate]
- Molecular formula
- C41H76O8S4
- Molecular weight
- 825.3
Names & synonyms
EINECS 268-461-23-Hexylthiopropanoic acid, pentaerythritol tetraesterPentaerythritol tetrakis(3-(hexylthio)propionate)Propanoic acid, 3-(hexylthio)-, 1,1'-(2,2-bis((3-(hexylthio)-1-oxopropoxy)methyl)-1,3-propanediyl) esterPropanoic acid, 3-(hexylthio)-, 2,2-bis((3-(hexylthio)-1-oxopropoxy)methyl)-1,3-propanediyl esterPentaerythritol tetrakis[3-(hexylthio)propionate]Propanoic acid, 3-(hexylthio)-, 1,1'-[2,2-bis[[3-(hexylthio)-1-oxopropoxy]methyl]-1,3-propanediyl] esterRefChem:86937368092-48-82,2-Bis(((3-(hexylthio)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(hexylthio)propanoate)SCHEMBL6731504DTXSID30867466
Show more names
2,2-bis[[3-(hexylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(hexylthio)propionate]Bis[3-(hexylthio)propanoic acid]2,2-bis[[3-(hexylthio)-1-oxopropoxy]methyl]-1,3-propanediyl ester
CNIAMBARISEYEW-UHFFFAOYSA-NNS000633422,2-Bis((3-(hexylthio)-1-oxopropoxy)methyl)propane-1,3-diyl bis(3-(hexylthio)propionate)2,2-Bis({[3-(hexylsulfanyl)propanoyl]oxy}methyl)propane-1,3-diyl bis[3-(hexylsulfanyl)propanoate]
Properties
Computed structural properties
- XLogP
- 11.6
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 44
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 751
Physicochemical properties
- EPA Substance Registry System
- 3 · Pentaerythritol tetrakis[3-(hexylthio)propionate] (68092-48-8)
- 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 InformationPropanoic acid, 3-(hexylthio)-, 1,1'-[2,2-bis[[3-(hexylthio)-1-oxopropoxy]methyl]-1,3-propanediyl] ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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