Dithiotolperidine structure

Dithiotolperidine

1-[2-[(4-butylsulfanylphenyl)-(4-methylphenyl)methyl]sulfanylethyl]piperidine

Also Known As: Dithiotolperidine|VUFB2751|5-20-02-00150 (Beilstein Handbook Reference)|1-(2-((p-(Butylthio)-alpha-(p-tolyl)benzyl)thio)ethyl)piperidine|Piperidine, 1-(2-((p-(butylthio)-alpha-(p-tolyl)benzyl)thio)ethyl)-|1-[2-({[4-(butylsulfanyl)phenyl](4-methylphenyl)methyl}sulfanyl)ethyl]piperidine|1-[2-[(4-butylsulfanylphenyl)-(4-methylphenyl)methyl]sulfanylethyl]piperidine

CAS: 3952-92-9
Molecular Formula C25H35NS2
Molecular Weight 413.2211 g/mol
LogP 7.1
Topological Polar Surface Area 53.8 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 10
Exact Mass 413.2211
Monoisotopic Mass 413.2211
Heavy Atoms 28
Complexity 393.0

Chemical Identifiers

CAS Number 3952-92-9
SMILES CCCCSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)SCCN3CCCCC3
InChIKey HNNOVLGESKWRIK-UHFFFAOYSA-N

Product Overview

Dithiotolperidine (CAS 3952-92-9), with molecular formula C25H35NS2 and molecular weight 413.2211 g/mol. IUPAC: 1-[2-[(4-butylsulfanylphenyl)-(4-methylphenyl)methyl]sulfanylethyl]piperidine.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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