Basic information
- CAS
4109-64-2- Standard SMILES
CNC(=O)Oc1cccc([S+](C)C)c1.COS(=O)(=O)[O-]- InChIKey
MCVGYBBNVPTENO-UHFFFAOYSA-N- Molecular formula
- C11H17NO6S2
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.04972961
Names & identifiers
- Preferred name
- Sulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate
- IUPAC
- dimethyl-[3-(methylcarbamoyloxy)phenyl]sulfanium;methyl sulfate
Names & synonyms
Sulfonium, (3-(methylcarbamoyloxy)phenyl)dimethyl-, methylsulfateTL-1306Carbamic acid, N-methyl-, 3-methylthiophenyl ester, methosulfateSulfonium, (3-hydroxyphenyl)dimethyl-, methylsulfate, methylcarbamate4109-64-2RefChem:382604
Database identifiers
- CAS
4109-64-2- PubChem CID
- 77752
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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