Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate
Basic information
- CAS
65134-92-1- Standard SMILES
CCOC(=O)c1ccc(NC(C)=O)c(CSC)c1- InChIKey
OOGRJJUYSISAKR-UHFFFAOYSA-N- Molecular formula
- C13H17NO3S
- Average molar mass
- 267.35 g/mol
- Monoisotopic mass
- 267.09291458
Names & identifiers
- Preferred name
- Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate
- IUPAC
- ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate
Names & synonyms
65134-92-1ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoateNSC298347DTXSID60315985NSC-298347ETHYL 4-ACETAMIDO-3-[(METHYLSULFANYL)METHYL]BENZOATE
Database identifiers
- CAS
65134-92-1- PubChem CID
- 326666
- DTXSID
DTXSID60315985
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…