Basic information
- CAS
99116-01-5- Standard SMILES
CCC(=O)OCC(S)CS- InChIKey
VYTRTPDGUKGQRH-UHFFFAOYSA-N- Molecular formula
- C6H12O2S2
- Average molar mass
- 180.3 g/mol
- Monoisotopic mass
- 180.02787197
Names & identifiers
- Preferred name
- 2,3-Bis(sulfanyl)propyl propanoate
- IUPAC
- 2,3-bis(sulfanyl)propyl propanoate
Names & synonyms
2,3-bis(sulfanyl)propyl propanoate99116-01-5DTXSID90912860RefChem:1059294DTXCID6013418732,3-Disulfanylpropyl propanoateBRL 504Propionic acid, 2,3-dimercaptopropyl esterBRN 17563702,3-Dimercapto-1-propanol 1-propionate1-Propanol, 2,3-dimercapto-, 1-propionate3-02-00-00536 (Beilstein Handbook Reference)
Show more names
SCHEMBL22721833
Database identifiers
- CAS
99116-01-5- PubChem CID
- 474241
- DTXSID
DTXSID90912860
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 28.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 106
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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