Basic information
- CAS
15224-79-0- Standard SMILES
C[NH+](C)CCSCC(Cc1cccc2ccccc12)CC1CCCO1.O=C([O-])C(=O)O- InChIKey
AGZTZOLSVDCJJB-UHFFFAOYSA-N- Molecular formula
- C24H33NO5S
- Average molar mass
- 447.6 g/mol
- Monoisotopic mass
- 447.20794433
Names & identifiers
- Preferred name
- 2-Furanpropanethiol, tetrahydro-S-(2-dimethylaminoethyl)-beta-(1-naphthylmethyl)-, oxalate
- IUPAC
- dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]azanium;2-hydroxy-2-oxoacetate
Names & synonyms
2-Furanpropanethiol, tetrahydro-S-(2-dimethylaminoethyl)-beta-(1-naphthylmethyl)-, oxalate1-Naphthalenepropanethiol, S-(2-dimethylaminoethyl)-beta-(tetrahydrofurfuryl)-, oxalateS-(2-Dimethylaminoethyl)-beta-(tetrahydrofurfuryl)-1-naphthalenepropanethiol oxalate15224-79-0RefChem:261322
Database identifiers
- CAS
15224-79-0- PubChem CID
- 27140
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…