3-(Propyldisulfanyl)propanoic acid
Basic information
- CAS
112401-23-7- Standard SMILES
CCCSSCCC(=O)O- InChIKey
AFBLIRCFRVJJQJ-UHFFFAOYSA-N- Molecular formula
- C6H12O2S2
- Average molar mass
- 180.3 g/mol
- Monoisotopic mass
- 180.02787197
Names & identifiers
- Preferred name
- 3-(Propyldisulfanyl)propanoic acid
- IUPAC
- 3-(propyldisulfanyl)propanoic acid
Names & synonyms
3-(Propyldisulfanyl)propanoic acid112401-23-7SCHEMBL2611585DTXSID40727643
Database identifiers
- CAS
112401-23-7- PubChem CID
- 57712681
- DTXSID
DTXSID40727643
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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