Basic information
- CAS
20707-94-2- Standard SMILES
COC(=O)CCSSSCCC(=O)OC- InChIKey
PMGSPGRHLCPBHN-UHFFFAOYSA-N- Molecular formula
- C8H14O4S3
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.00542244
Names & identifiers
- Preferred name
- Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester
- IUPAC
- methyl 3-[(3-methoxy-3-oxopropyl)trisulfanyl]propanoate
- English name
- dimethyl 3,3'-trithiobispropionate
- Molecular formula
- C8H14O4S3
- Molecular weight
- 270.39
Names & synonyms
Dimethyl 3,3'-trithiobispropionateEINECS 243-980-7Propanoic acid, 3,3'-trithiobis-, dimethyl esterPropanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl esterRefChem:869334243-980-7Dimethyl 3,3'-trithiodipropionate20707-94-2DTXSID2066644SCHEMBL15402876PMGSPGRHLCPBHN-UHFFFAOYSA-NNS00050699
Show more names
Bis(3-oxo-3-methoxypropyl) pertrisulfide3,3'-Pertrithiobispropanoic acid dimethyl ester
Dimethyl 3,3'-(trisulfane-1,3-diyl)dipropanoate
Database identifiers
- CAS
20707-94-2- PubChem CID
- 88657
- DTXSID
DTXSID2066644- EC Number
- 243-980-7
- Nikkaji
- J225.309G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- EPA Substance Registry System
- 3 · Dimethyl 3,3'-trithiodipropionate (20707-94-2)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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