Basic information
- CAS
666-15-9- Standard SMILES
COS(C)=O- InChIKey
UJXJECMZMLSTEB-UHFFFAOYSA-N- Molecular formula
- C2H6O2S
- Average molar mass
- 94.14 g/mol
- Monoisotopic mass
- 94.0088506
Names & identifiers
- Preferred name
- Methyl methanesulfinate
- IUPAC
- methyl methanesulfinate
Names & synonyms
methyl methanesulfinate666-15-9methylsulfinyloxymethanemethanesulfinic acid methyl esterNSC311946SCHEMBL862566SCHEMBL7991762DTXSID10317151NSC-311946DS-002631
Database identifiers
- CAS
666-15-9- PubChem CID
- 329397
- DTXSID
DTXSID10317151- Nikkaji
- J933.855A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 42.9
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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