Valeric acid, 2-propylthio-, O-ester with 2-(dimethylamino)ethanol, fumarate
Basic information
- CAS
57554-31-1- Standard SMILES
CCCC(CCC)C(=S)OCCN(C)C.O=C(O)/C=C/C(=O)O- InChIKey
AQCRRWAJZJZFIG-WLHGVMLRSA-N- Molecular formula
- C16H29NO5S
- Average molar mass
- 347.5 g/mol
- Monoisotopic mass
- 347.1766442
Names & identifiers
- Preferred name
- Valeric acid, 2-propylthio-, O-ester with 2-(dimethylamino)ethanol, fumarate
- IUPAC
- (E)-but-2-enedioic acid;O-[2-(dimethylamino)ethyl] 2-propylpentanethioate
Names & synonyms
Valeric acid, 2-propylthio-, O-ester with 2-(dimethylamino)ethanol, fumarate57554-31-1RefChem:11008952-Propylthiovaleric acid O-ester with 2-(dimethylamino)ethanol fumarate
Database identifiers
- CAS
57554-31-1- PubChem CID
- 6446355
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…