Basic information
- Standard SMILES
COC(=O)CS(=O)CC(=O)OC- InChIKey
WXSZTIDGDMKUHQ-UHFFFAOYSA-N- Molecular formula
- C6H10O5S
- Average molar mass
- 194.21 g/mol
- Monoisotopic mass
- 194.02489459
Names & identifiers
- Preferred name
- Thionyldiacetic acid dimethylester
- IUPAC
- methyl 2-(2-methoxy-2-oxoethyl)sulfinylacetate
Names & synonyms
dimethyl 2,2'-sulfinyldiacetateSCHEMBL11894877thionyldiacetic acid dimethylesterWXSZTIDGDMKUHQ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 10997883
- Nikkaji
- J726.551D
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 180
Related reactions
4 records
Compound notes
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