Basic information
- CAS
22695-02-9- Standard SMILES
CC(C)COC(=O)CCSCCC(=O)OCC(C)C- InChIKey
IVXXVLUDEOIOKF-UHFFFAOYSA-N- Molecular formula
- C14H26O4S
- Average molar mass
- 290.42 g/mol
- Monoisotopic mass
- 290.15518048
Names & identifiers
- Preferred name
- Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester
- IUPAC
- 2-methylpropyl 3-[3-(2-methylpropoxy)-3-oxopropyl]sulfanylpropanoate
- English name
- bis(2-methylpropyl) 3,3'-thiobispropionate
- Molecular formula
- C14H26O4S
- Molecular weight
- 290.41884
Names & synonyms
EINECS 245-160-4Propanoic acid, 3,3'-thiobis-, bis(2-methylpropyl) esterPropanoic acid, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) esterRefChem:869326Diisobutyl 3,3'-thiodipropionate22695-02-9Bis(2-methylpropyl) 3,3'-thiobispropionateSCHEMBL5014586DTXSID1066819IVXXVLUDEOIOKF-UHFFFAOYSA-NNS00027240Bis(2-methylpropyl) 3,3'-sulfanediyldipropanoate
Show more names
3,3'-Thiobispropionic acid bis(2-methylpropyl) ester
Database identifiers
- CAS
22695-02-9- PubChem CID
- 89794
- DTXSID
DTXSID1066819- EC Number
- 245-160-4
- Nikkaji
- J286.273E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- EPA Substance Registry System
- 3 · Diisobutyl 3,3'-thiodipropionate (22695-02-9)
- 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, 3,3'-thiobis-, 1,1'-bis(2-methylpropyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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