Basic information
- Standard SMILES
COC(=O)C(C)=CC(C)Sc1ccc(N(C)C)cc1- InChIKey
NXACCZBPFRQVGG-UHFFFAOYSA-N- Molecular formula
- C15H21NO2S
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.12930009
Names & identifiers
- Preferred name
- 4-(4-Dimethylaminophenylsulfanyl)-2-methylpent-2-enoic acid methyl ester
- IUPAC
- methyl 4-[4-(dimethylamino)phenyl]sulfanyl-2-methylpent-2-enoate
Names & synonyms
SCHEMBL3196605NXACCZBPFRQVGG-UHFFFAOYSA-N4-(4-Dimethylaminophenylsulfanyl)-2-methylpent-2-enoic acid methyl ester
Database identifiers
- PubChem CID
- 68545878
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
Related reactions
3 records
Compound notes
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