Basic information
- CAS
32438-29-2- Standard SMILES
C=CCCCCCCSC(C)=O- InChIKey
DHYMGRCNISTYRP-UHFFFAOYSA-N- Molecular formula
- C10H18OS
- Average molar mass
- 186.32 g/mol
- Monoisotopic mass
- 186.10783637
Names & identifiers
- Preferred name
- S-oct-7-enyl ethanethioate
- IUPAC
- S-oct-7-enyl ethanethioate
- English name
- S-(7-Octenyl) ethanethioate
- Molecular formula
- C10H18OS
- Molecular weight
- 186.31
Names & synonyms
32438-29-2S-oct-7-enyl ethanethioate7-Octenethiol, acetateS-(7-Octenyl) ethanethioateS-(7-Octenyl) ethanethioate #SCHEMBL16239274DTXSID40336830DHYMGRCNISTYRP-UHFFFAOYSA-NS-(Oct-7-en-1-yl) ethanethioateEthanethioic acid, S-7-octen-1-yl ester
Database identifiers
- CAS
32438-29-2- PubChem CID
- 536587
- DTXSID
DTXSID40336830
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 252.4 · 252.4±19.0 °C(Predicted)
- Density
- 0.932 · 0.932±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…