Basic information
- CAS
5345-67-5- Standard SMILES
CCCCCCOC(=O)C(C)SC#N- InChIKey
DXPBLKONPOWKSP-UHFFFAOYSA-N- Molecular formula
- C10H17NO2S
- Average molar mass
- 215.31 g/mol
- Monoisotopic mass
- 215.09799996
Names & identifiers
- Preferred name
- Hexyl 2-thiocyanatopropanoate
- IUPAC
- hexyl 2-thiocyanatopropanoate
Names & synonyms
5345-67-5hexyl 2-thiocyanatopropanoateNSC1719Hexyl 2-(thiocyanato)propanoateDTXSID00277336NSC-17192-THIOCYANATOPROPIONIC ACID, HEXYL ESTER
Database identifiers
- CAS
5345-67-5- PubChem CID
- 219916
- DTXSID
DTXSID00277336
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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