Ethyl 3-anilino-5-methylthiolane-3-carboxylate
Basic information
- CAS
1538546-38-1- Standard SMILES
CCOC(=O)C1(Nc2ccccc2)CSC(C)C1- InChIKey
VAHSZUDWTRFGQB-UHFFFAOYSA-N- Molecular formula
- C14H19NO2S
- Average molar mass
- 265.37 g/mol
- Monoisotopic mass
- 265.11365002
Names & identifiers
- Preferred name
- Ethyl 3-anilino-5-methylthiolane-3-carboxylate
- IUPAC
- ethyl 3-anilino-5-methylthiolane-3-carboxylate
Names & synonyms
AKOS018509254Ethyl 3-anilino-5-methylthiolane-3-carboxylate1538546-38-1
Database identifiers
- CAS
1538546-38-1- PubChem CID
- 79949652
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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