2-Furanpropanethiol, tetrahydro-S-(2-diethylaminoethyl)-beta-(1-naphthylmethyl)-, oxalate
Basic information
- CAS
15161-61-2- Standard SMILES
CCC(CCSCC(Cc1cccc2ccccc12)CC1CCCO1)[NH2+]C.O=C([O-])C(=O)O- InChIKey
FMXCXQKWRSLFLM-UHFFFAOYSA-N- Molecular formula
- C26H37NO5S
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.23924445
Names & identifiers
- Preferred name
- 2-Furanpropanethiol, tetrahydro-S-(2-diethylaminoethyl)-beta-(1-naphthylmethyl)-, oxalate
- IUPAC
- 2-hydroxy-2-oxoacetate;methyl-[1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-yl]azanium
Names & synonyms
2-Furanpropanethiol, tetrahydro-S-(2-diethylaminoethyl)-beta-(1-naphthylmethyl)-, oxalate1-Naphthalenepropanethiol, S-(2-diethylaminoethyl)-beta-(tetrahydrofurfuryl)-, oxalateS-(2-Diethylaminoethyl)-beta-(tetrahydrofurfuryl)-1-naphthalenepropanethiol oxalate15161-61-2RefChem:261320
Database identifiers
- CAS
15161-61-2- PubChem CID
- 27101
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 482
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Compound notes
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