2-Furanpropanethiol, tetrahydro-S-(2-dimethylaminoethyl)-beta-(1-naphthyl)-, oxalate

HCID 27142

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Basic information

CAS: 15224-80-3
Standard SMILES: C[NH+](C)CCSCC(CC1CCCO1)c1cccc2ccccc12.O=C([O-])C(=O)O
InChIKey: ACNFWMRLRDDRFY-UHFFFAOYSA-N
Molecular formula: C23H31NO5S
Average molar mass: 433.6 g/mol
Monoisotopic mass: 433.19229426

Names & identifiers

Preferred name: 2-Furanpropanethiol, tetrahydro-S-(2-dimethylaminoethyl)-beta-(1-naphthyl)-, oxalate
IUPAC: dimethyl-[2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethyl]azanium;2-hydroxy-2-oxoacetate

Names & synonyms

2-Furanpropanethiol, tetrahydro-S-(2-dimethylaminoethyl)-beta-(1-naphthyl)-, oxalate15224-80-31-Naphthaleneethanethiol, S-(2-dimethylaminoethyl)-beta-(tetrahydrofurfuryl)-, oxalateS-(2-Dimethylaminoethyl)-beta-(tetrahydrofurfuryl)-1-naphthaleneethanethiol oxalateRefChem:261321

Database identifiers

CAS: 15224-80-3
PubChem CID: 27142

Properties

Computed structural properties

Topological polar surface area: 116 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 30
Formal charge: 0
Complexity: 440

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