Basic information
- CAS
47485-41-6- Standard SMILES
c1ccc2c(C(CSCCN3CCCC3)CC3CCCO3)cccc2c1- InChIKey
VUOJEVZRTIGIKR-UHFFFAOYSA-N- Molecular formula
- C23H31NOS
- Average molar mass
- 369.6 g/mol
- Monoisotopic mass
- 369.21263579
Names & identifiers
- Preferred name
- 2-Furanpropanethiol, tetrahydro-beta-(1-naphthyl)-S-(2-pyrrolidinoethyl)-
- IUPAC
- 1-[2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethyl]pyrrolidine
- English name
- 2-(1-Naphtyl)-1-(2-pyrrolizinoethyl)thio-3-(2,3,4,5-tetrahydrofuran-2-yl)propane
- Molecular formula
- C23H31NOS
- Molecular weight
- 369.56
Names & synonyms
47485-41-62-FURANPROPANETHIOL, TETRAHYDRO-beta-(1-NAPHTHYL)-S-(2-PYRROLIDINOETHYL)-1-Naphthaleneethanethiol, S-(2-pyrrolidinoethyl)-beta-(tetrahydrofurfuryl)-RefChem:261317DTXSID909638571-(2-{[2-(Naphthalen-1-yl)-3-(oxolan-2-yl)propyl]sulfanyl}ethyl)pyrrolidine2-(1-Naphtyl)-1-(2-pyrrolizinoethyl)thio-3-(2,3,4,5-tetrahydrofuran-2-yl)propanePyrrolidine, 1-[2-[[2-(1-naphthalenyl)-3-(tetrahydro-2-furanyl)propyl]thio]ethyl]-
Database identifiers
- CAS
47485-41-6- PubChem CID
- 39473
- DTXSID
DTXSID90963857- Nikkaji
- J75.512E
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 533 · 533.0±35.0 °C(Predicted)
- Density
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- pka
- 9.84 · 9.84±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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