Basic information
- CAS
47539-72-0- Standard SMILES
c1ccc2c(C(CSCCN3CCOCC3)CC3CCCO3)cccc2c1- InChIKey
QXDSXSBUSHRGQQ-UHFFFAOYSA-N- Molecular formula
- C23H31NO2S
- Average molar mass
- 385.6 g/mol
- Monoisotopic mass
- 385.20755041
Names & identifiers
- Preferred name
- 2-Furanpropanethiol, tetrahydro-S-(2-morpholinoethyl)-beta-(1-naphthyl)-
- IUPAC
- 4-[2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine
- English name
- 1-(2-Morpholinoethyl)thio-2-(1-naphtyl)-3-(2,3,4,5-tetrahydrofuran-2-yl)propane
- Molecular formula
- C23H31NO2S
- Molecular weight
- 385.56
Names & synonyms
BRN 300757947539-72-01-Naphthaleneethanethiol, S-(2-morpholinoethyl)-beta-(tetrahydrofurfuryl)-2-FURANPROPANETHIOL, TETRAHYDRO-S-(2-MORPHOLINOETHYL)-beta-(1-NAPHTHYL)-RefChem:261323DTXSID709638704-(2-{[2-(Naphthalen-1-yl)-3-(oxolan-2-yl)propyl]sulfanyl}ethyl)morpholine1-(2-Morpholinoethyl)thio-2-(1-naphtyl)-3-(2,3,4,5-tetrahydrofuran-2-yl)propaneMorpholine, 4-[2-[[2-(1-naphthalenyl)-3-(tetrahydro-2-furanyl)propyl]thio]ethyl]-
Database identifiers
- CAS
47539-72-0- PubChem CID
- 39474
- DTXSID
DTXSID70963870- Nikkaji
- J75.511G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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