Octanesulfonic acid, thio-, S-methyl ester
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Basic information
- CAS
7559-46-8- Standard SMILES
CCCCCCCCS(=O)(=O)SC- InChIKey
FFFFGWGAXPYMFC-UHFFFAOYSA-N- Molecular formula
- C9H20O2S2
- Average molar mass
- 224.4 g/mol
- Monoisotopic mass
- 224.09047222
Names & identifiers
- Preferred name
- Octanesulfonic acid, thio-, S-methyl ester
- IUPAC
- 1-methylsulfanylsulfonyloctane
- English name
- 1-Octanethiosulfonic acid S-methyl ester
- Molecular weight
- 0
Names & synonyms
7559-46-8OCTANESULFONIC ACID, THIO-, S-METHYL ESTERDTXSID90226499RefChem:1093808DTXCID40148990S-Methyl octanethiosulfonateNSC-1247731-methylsulfanylsulfonyloctaneNSC 124773BRN 19075361-Octanesulfonic acid, thio-, S-methyl esterB8HB4XW9P6
Show more names
1-Octanethiosulfonic acid S-methyl ester
S-Methyl 1-octanesulfonothioateS-Methyl octane-1-sulfonothioateOctanesulfonic acid, S-methyl esterNSC1247731-Octanesulfonic acid, S-methyl ester1-Octanesulfonothioic acid, S-methyl ester
Database identifiers
- CAS
7559-46-8- PubChem CID
- 24208
- DTXSID
DTXSID90226499- UNII
- B8HB4XW9P6
- Nikkaji
- J42.515J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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