1-(Methylsulfanyl)octadecane
Basic information
- CAS
40289-98-3- Standard SMILES
CCCCCCCCCCCCCCCCCCSC- InChIKey
BNORDZYQJMGMRG-UHFFFAOYSA-N- Molecular formula
- C19H40S
- Average molar mass
- 300.6 g/mol
- Monoisotopic mass
- 300.28507245
Names & identifiers
- Preferred name
- 1-(Methylsulfanyl)octadecane
- IUPAC
- 1-methylsulfanyloctadecane
- English name
- OCTADECYLMETHYLSULFIDE
- Molecular formula
- C19H40S
- Molecular weight
- 300.59
Names & synonyms
OCTADECYLMETHYLSULFIDE1-methylsulfanyloctadecane40289-98-31-(Methylsulfanyl)octadecanemethyloctadecylsulfideOctadecane, 1-(methylthio)-stearyl methyl sulfideSCHEMBL199322SCHEMBL199323METHYL OCTADECYL SULFIDESCHEMBL91496701-(Methylsulfanyl)octadecane #
Show more names
Methyloctadecyl sulfidemethyl n-octadecyl sulfide
DTXSID80336793G55633EN300-18534144
Database identifiers
- CAS
40289-98-3- PubChem CID
- 536381
- DTXSID
DTXSID80336793- EC Number
- 882-548-8
- Nikkaji
- J101.995C
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 17
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 20 °C · 20°C (estimate)
- Boiling point
- 351.79 °C · 351.79°C (estimate)
- Density
- 0.8798 · 0.8798 (estimate)
- refractive index
- 1.4726 · 1.4726 (estimate)
Related reactions
3 records
Compound notes
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