Basic information
- CAS
94135-33-8- Standard SMILES
C/C=C/CC/C=C/CSCCO- InChIKey
FEAIFWLZCMLWTH-BLWKUPHCSA-N- Molecular formula
- C10H18OS
- Average molar mass
- 186.32 g/mol
- Monoisotopic mass
- 186.10783637
Names & identifiers
- Preferred name
- 2-(2,6-Octadienylthio)ethanol
- IUPAC
- 2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol
Names & synonyms
2-(2,6-Octadienylthio)ethanolEINECS 302-902-294135-33-8SCHEMBL10706269FEAIFWLZCMLWTH-BLWKUPHCSA-N
Database identifiers
- CAS
94135-33-8- PubChem CID
- 6366458
- EC Number
- 302-902-2
- Nikkaji
- J368.294C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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