Basic information
- CAS
2813-25-4- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)CS(C)=O- InChIKey
GAPNHXYBXAYREF-UHFFFAOYSA-N- Molecular formula
- C20H40O2S
- Average molar mass
- 344.6 g/mol
- Monoisotopic mass
- 344.27490169
Names & identifiers
- Preferred name
- 1-Methylsulfinylnonadecan-2-one
- IUPAC
- 1-methylsulfinylnonadecan-2-one
Names & synonyms
2813-25-41-methylsulfinylnonadecan-2-oneNSC222338DTXSID803100581-(methylsulfinyl)-2-nonadecanone1-(Methanesulfinyl)nonadecan-2-oneNSC-222338
Database identifiers
- CAS
2813-25-4- PubChem CID
- 312342
- DTXSID
DTXSID80310058- Nikkaji
- J1.424.602I
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…