Basic information
- CAS
99848-17-6- Standard SMILES
CSCCC(=O)OCC(S)CS- InChIKey
FZBWWGKWYVYXCO-UHFFFAOYSA-N- Molecular formula
- C7H14O2S3
- Average molar mass
- 226.4 g/mol
- Monoisotopic mass
- 226.01559321
Names & identifiers
- Preferred name
- Propionic acid, 3-(methylthio)-, 2,3-dimercaptopropyl ester
- IUPAC
- 2,3-bis(sulfanyl)propyl 3-methylsulfanylpropanoate
Names & synonyms
99848-17-6Propionic acid, 3-(methylthio)-, 2,3-dimercaptopropyl esterRefChem:1096965BRL 6933-(Methylthio)propionic acid 2,3-dimercaptopropyl esterBRN 19075062,3-bis(sulfanyl)propyl 3-methylsulfanylpropanoateDTXSID209124342,3-Disulfanylpropyl 3-methylthiopropanoate2,3-Bis(sulfanyl)propyl 3-(methylsulfanyl)propanoate
Database identifiers
- CAS
99848-17-6- PubChem CID
- 474247
- DTXSID
DTXSID20912434
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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