2-Ethylhexyl thiocyanatoacetate
Basic information
- CAS
5334-89-4- Standard SMILES
CCCCC(CC)COC(=O)CSC#N- InChIKey
OIUMRZMNCUVNHX-UHFFFAOYSA-N- Molecular formula
- C11H19NO2S
- Average molar mass
- 229.34 g/mol
- Monoisotopic mass
- 229.11365002
Names & identifiers
- Preferred name
- 2-Ethylhexyl thiocyanatoacetate
- IUPAC
- 2-ethylhexyl 2-thiocyanatoacetate
Names & synonyms
5334-89-42-ethylhexyl thiocyanatoacetateNSC1480DTXSID802772932-Ethylhexyl (thiocyanato)acetateNSC-1480THIOCYANATOACETIC ACID, 2-ETHYLHEXYL ESTER
Database identifiers
- CAS
5334-89-4- PubChem CID
- 219795
- DTXSID
DTXSID80277293
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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