Basic information
- CAS
6791-06-6- Standard SMILES
CCCCCCCCCCCCOC(=S)S- InChIKey
GYRLIFXJBOSGLA-UHFFFAOYSA-N- Molecular formula
- C13H26OS2
- Average molar mass
- 262.5 g/mol
- Monoisotopic mass
- 262.1425078
Names & identifiers
- Preferred name
- Dodecoxymethanedithioic acid
- IUPAC
- dodecoxymethanedithioic acid
Names & synonyms
dodecoxymethanedithioic acidCarbonodithioic acid, O-dodecyl esterSCHEMBL35171SCHEMBL5886022DTXSID801373185O-Dodecyl hydrogen carbonodithioate6791-06-6
Database identifiers
- CAS
6791-06-6- PubChem CID
- 84697
- DTXSID
DTXSID801373185- Nikkaji
- J2.226.305F
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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