Basic information
- CAS
5819-57-8- Standard SMILES
CCCCCCCCOc1ccc(N)cc1CSCCO- InChIKey
ORCHBLUZBVZPOF-UHFFFAOYSA-N- Molecular formula
- C17H29NO2S
- Average molar mass
- 311.5 g/mol
- Monoisotopic mass
- 311.19190034
Names & identifiers
- Preferred name
- Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)-
- IUPAC
- 2-[(5-amino-2-octoxyphenyl)methylsulfanyl]ethanol
Names & synonyms
5819-57-8Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)-M & B 5811BRN 27454182-((5-Amino-4-(octyloxy)benzyl)thio)ethanolDTXSID70206916RefChem:340798DTXCID001294072-[(5-amino-2-octoxyphenyl)methylsulfanyl]ethanol2-[(3-Amino-4-octoxyphenyl)methylsulfanyl]ethanolorb1986069AKOS040751729
Show more names
T316912-({[5-Amino-2-(octyloxy)phenyl]methyl}sulfanyl)ethan-1-ol
Database identifiers
- CAS
5819-57-8- PubChem CID
- 201333
- DTXSID
DTXSID70206916
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…