Basic information
- CAS
15493-41-1- Standard SMILES
CCCCCCC/C=C/C(=O)SCCNC(C)=O- InChIKey
HYDKTIAWESXLEF-UHFFFAOYSA-N- Molecular formula
- C14H25NO2S
- Average molar mass
- 271.42 g/mol
Overview
RN given for cpd without isomeric designation; structure given in first source
Names & identifiers
- Preferred name
- 2-Decenoic acid N-acetylcysteamine thioester
- IUPAC
- S-(2-acetamidoethyl) (E)-dec-2-enethioate
- English name
- 2-decenoic acid N-acetylcysteamine thioester
- Molecular formula
- C14H25NO2S
- Molecular weight
- 271.42
Names & synonyms
2-Decenoic-nacs2-Decenoic acid N-acetylcysteamine thioester15493-41-1RefChem:866662-Decenethioic acid, S-(2-(acetylamino)ethyl) esterS-(2-acetamidoethyl) (E)-dec-2-enethioateSCHEMBL21067891
Database identifiers
- CAS
15493-41-1- PubChem CID
- 6168549
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 453.414 · 453.414±24.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.004 · 1.004±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.557 · 15.557±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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