2-(Ethylsulfanyl)ethyl 3-aminobut-2-enoate
Basic information
- CAS
13560-46-8- Standard SMILES
CCSCCOC(=O)C=C(C)N- InChIKey
WDFUMWKEWUAVDI-UHFFFAOYSA-N- Molecular formula
- C8H15NO2S
- Average molar mass
- 189.28 g/mol
- Monoisotopic mass
- 189.08234989
Names & identifiers
- Preferred name
- 2-(Ethylsulfanyl)ethyl 3-aminobut-2-enoate
- IUPAC
- 2-ethylsulfanylethyl 3-aminobut-2-enoate
Names & synonyms
SCHEMBL10663727DTXSID1012261032-(Ethylsulfanyl)ethyl 3-aminobut-2-enoate2-Butenoic acid, 3-amino-, 2-(ethylthio)ethyl ester13560-46-8
Database identifiers
- CAS
13560-46-8- PubChem CID
- 85614735
- DTXSID
DTXSID101226103
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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