(1,1-Dioxo-tetrahydro-thiophen-3-YL)-acetic acid M-tolyl ester
Basic information
- CAS
325984-56-3- Standard SMILES
Cc1cccc(OC(=O)CC2CCS(=O)(=O)C2)c1- InChIKey
IHMAOHAIJGDKNZ-UHFFFAOYSA-N- Molecular formula
- C13H16O4S
- Average molar mass
- 268.33 g/mol
- Monoisotopic mass
- 268.07693016
Names & identifiers
- Preferred name
- (1,1-Dioxo-tetrahydro-thiophen-3-YL)-acetic acid M-tolyl ester
- IUPAC
- (3-methylphenyl) 2-(1,1-dioxothiolan-3-yl)acetate
Names & synonyms
Oprea1_099020AKOS003626246AE-848/332110543-methylphenyl (1,1-dioxidotetrahydro-3-thienyl)acetate(1,1-DIOXO-TETRAHYDRO-THIOPHEN-3-YL)-ACETIC ACID M-TOLYL ESTER
Database identifiers
- CAS
325984-56-3- PubChem CID
- 3311040
- EC Number
- 152-779-2
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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