Basic information
- Standard SMILES
COC(=O)Cc1cccc(S(C)(=N)=O)c1- InChIKey
SCFSPQGTMFRCSM-UHFFFAOYSA-N- Molecular formula
- C10H13NO3S
- Average molar mass
- 227.28 g/mol
Names & identifiers
- Preferred name
- methyl [3-(S-methylsulfonimidoyl)phenyl]acetate
- IUPAC
- methyl 2-[3-(methylsulfonimidoyl)phenyl]acetate
Names & synonyms
SCHEMBL12750998SCFSPQGTMFRCSM-UHFFFAOYSA-Nmethyl[3-(s-methylsulfonimidoyl)phenyl]acetatemethyl [3-(S-methylsulfonimidoyl)phenyl]acetate
Database identifiers
- PubChem CID
- 57657973
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 334
Related reactions
4 records
Compound notes
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