Basic information
- CAS
99848-14-3- Standard SMILES
CCCC(=O)OCC(S)CS- InChIKey
DJEMELITJSDQEV-UHFFFAOYSA-N- Molecular formula
- C7H14O2S2
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 194.04352203
Names & identifiers
- Preferred name
- 2,3-Bis(sulfanyl)propyl butanoate
- IUPAC
- 2,3-bis(sulfanyl)propyl butanoate
Names & synonyms
2,3-bis(sulfanyl)propyl butanoate99848-14-3DTXSID40912436RefChem:1059293DTXCID201341457BRL 510BUTYRIC ACID, 2,3-DIMERCAPTOPROPYL ESTER2,3-Dimercapto-1-propanol 1-butyrateBRN 17618911-Propanol, 2,3-dimercapto-, 1-butyrate2,3-Disulfanylpropyl butanoate3-02-00-00610 (Beilstein Handbook Reference)
Show more names
SCHEMBL27897055
Database identifiers
- CAS
99848-14-3- PubChem CID
- 57544
- DTXSID
DTXSID40912436
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 28.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 117
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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