Dithiotolperidine

HCID 199282

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Basic information

CAS: 3952-92-9
Standard SMILES: CCCCSc1ccc(C(SCCN2CCCCC2)c2ccc(C)cc2)cc1
InChIKey: HNNOVLGESKWRIK-UHFFFAOYSA-N
Molecular formula: C25H35NS2
Average molar mass: 413.7 g/mol
Monoisotopic mass: 413.22109247

Names & identifiers

Preferred name: Dithiotolperidine
IUPAC: 1-[2-[(4-butylsulfanylphenyl)-(4-methylphenyl)methyl]sulfanylethyl]piperidine

Names & synonyms

DithiotolperidineVUFB2751BRN 13538611-(2-((p-(Butylthio)-alpha-(p-tolyl)benzyl)thio)ethyl)piperidine3952-92-95-20-02-00150 (Beilstein Handbook Reference)Piperidine, 1-(2-((p-(butylthio)-alpha-(p-tolyl)benzyl)thio)ethyl)-RefChem:339257DTXSID509601401-[2-({[4-(butylsulfanyl)phenyl](4-methylphenyl)methyl}sulfanyl)ethyl]piperidine

Database identifiers

CAS: 3952-92-9
PubChem CID: 199282
DTXSID: DTXSID50960140

Properties

Computed structural properties

XLogP: 7.1
Topological polar surface area: 53.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 28
Formal charge: 0
Complexity: 393

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