Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2,3-dihydroxypropyl) ester
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Basic information
- CAS
68928-36-9- Standard SMILES
O=C(CCSCCC(=O)OCC(O)CO)OCC(O)CO- InChIKey
OOTUIMGUOKCPKY-UHFFFAOYSA-N- Molecular formula
- C12H22O8S
- Average molar mass
- 326.37 g/mol
- Monoisotopic mass
- 326.10353883
Names & identifiers
- Preferred name
- Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2,3-dihydroxypropyl) ester
- IUPAC
- 2,3-dihydroxypropyl 3-[3-(2,3-dihydroxypropoxy)-3-oxopropyl]sulfanylpropanoate
- English name
- bis(2,3-dihydroxypropyl) 3,3'-thiobispropionate
- Molecular formula
- C12H22O8S
- Molecular weight
- 326.36328
Names & synonyms
Bis(2,3-dihydroxypropyl) 3,3'-thiodipropionate68928-36-9EINECS 273-004-5DTXSID70887587Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2,3-dihydroxypropyl) esterPropanoic acid, 3,3'-thiobis-, bis(2,3-dihydroxypropyl) esterRefChem:869323DTXCID201026877Bis(2,3-dihydroxypropyl) 3,3'-thiobispropionateSCHEMBL20262043OOTUIMGUOKCPKY-UHFFFAOYSA-NNS00061915
Show more names
3,3'-Thiobispropanoic acid bis(2,3-dihydroxypropyl) ester
Bis(2,3-dihydroxypropyl) 3,3'-sulfanediyldipropanoate
Database identifiers
- CAS
68928-36-9- PubChem CID
- 111448
- DTXSID
DTXSID70887587- EC Number
- 273-004-5
- Nikkaji
- J332.742F
Properties
Computed structural propertiesFilling in
- XLogP
- -2.1
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- EPA Substance Registry System
- Bis(2,3-dihydroxypropyl) 3,3'-thiodipropionate (68928-36-9)
- 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(2,3-dihydroxypropyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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