Basic information
- CAS
5345-66-4- Standard SMILES
CCCCCCCCCCCCOC(=O)CSC#N- InChIKey
YAXOMIRMYVIJSX-UHFFFAOYSA-N- Molecular formula
- C15H27NO2S
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.17625028
Names & identifiers
- Preferred name
- Dodecyl thiocyanatoacetate
- IUPAC
- dodecyl 2-thiocyanatoacetate
Names & synonyms
dodecyl thiocyanatoacetate5345-66-4DTXSID40277335RefChem:339516DTXCID902284932-thiocyanatoacetic acid dodecyl esterNSC1718n-Dodecyl-thiocyano-acetatDodecyl (thiocyanato)acetateNSC-1718THIOCYANATOACETIC ACID, DODECYL ESTER
Database identifiers
- CAS
5345-66-4- PubChem CID
- 219915
- DTXSID
DTXSID40277335
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…