Propanoic acid, 3,3'-dithiobis-, 1,1'-bis(2,3-dihydroxypropyl) ester
Basic information
- CAS
68928-35-8- Standard SMILES
O=C(CCSSCCC(=O)OCC(O)CO)OCC(O)CO- InChIKey
JNJIFNOOWWLQIE-UHFFFAOYSA-N- Molecular formula
- C12H22O8S2
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.07561
Names & identifiers
- Preferred name
- Propanoic acid, 3,3'-dithiobis-, 1,1'-bis(2,3-dihydroxypropyl) ester
- IUPAC
- 2,3-dihydroxypropyl 3-[[3-(2,3-dihydroxypropoxy)-3-oxopropyl]disulfanyl]propanoate
- English name
- 3,3'-Dithiobispropanoic acid bis(2,3-dihydroxypropyl) ester
- Molecular formula
- C12H22O8S2
- Molecular weight
- 358.43
Names & synonyms
68928-35-8Bis(2,3-dihydroxypropyl) 3,3'-dithiodipropionateDTXSID10887586Propanoic acid, 3,3'-dithiobis-, 1,1'-bis(2,3-dihydroxypropyl) esterPropanoic acid, 3,3'-dithiobis-, bis(2,3-dihydroxypropyl) esterRefChem:869319DTXCID501026876SCHEMBL20262041JNJIFNOOWWLQIE-UHFFFAOYSA-Nbis(2,3-dihydroxypropyl) 3,3'-disulfanediyldipropanoate3,3'-Dithiobispropanoic acid bis(2,3-dihydroxypropyl) ester
Database identifiers
- CAS
68928-35-8- PubChem CID
- 111447
- DTXSID
DTXSID10887586- Nikkaji
- J441.247H
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- EPA Substance Registry System
- Bis(2,3-dihydroxypropyl) 3,3'-dithiodipropionate (68928-35-8)
- 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, 3,3'-dithiobis-, 1,1'-bis(2,3-dihydroxypropyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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