2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine

C18H24N2S4 — CID 71346411

IUPAC2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine
SMILESc1ccc(CSCCSCCSCCSCc2ccccn2)nc1
InChIInChI=1S/C18H24N2S4/c1-3-7-19-17(5-1)15-23-13-11-21-9-10-22-12-14-24-16-18-6-2-4-8-20-18/h1-8H,9-16H2
InChIKeyKSPDXZDQASIVFC-UHFFFAOYSA-N
MW396.67 g/mol
LogP5.11
Rot. Bonds13

About 2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine

2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine (PubChem CID 71346411) has the molecular formula C18H24N2S4 and a molecular weight of 396.67 g/mol. Its IUPAC name is 2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine
PubChem CID71346411
Molecular FormulaC18H24N2S4
Molecular Weight396.67 g/mol
Exact Mass396.08
IUPAC Name2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine
SMILESc1ccc(CSCCSCCSCCSCc2ccccn2)nc1
InChIInChI=1S/C18H24N2S4/c1-3-7-19-17(5-1)15-23-13-11-21-9-10-22-12-14-24-16-18-6-2-4-8-20-18/h1-8H,9-16H2
InChIKeyKSPDXZDQASIVFC-UHFFFAOYSA-N
XLogP5.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.67
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
2-(2-methylsulfanylethylsulfanylmethyl)pyridine
CID 175223046
2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
CID 86021150
3-(pyridin-2-ylmethylsulfanyl)propane-1,2-diol
CID 79682125
2-[(4-chlorophenyl)methylsulfanylmethyl]pyridine
CID 78836425
1-piperazin-1-yl-3-(pyridin-2-ylmethylsulfanyl)propan-1-one
CID 119403304
methyl 4-(pyridin-2-ylmethylsulfanyl)butanimidate
CID 10398724
2-nitro-1-N,1-N'-bis[2-(pyridin-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine
CID 21435077
2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine
CID 2172820
5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole
CID 78860958
2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine
CID 13061964
N-(3-aminopropyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 119408369

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine?
The IUPAC name of 2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine (CID 71346411) is 2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine.
What is the SMILES notation for 2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine?
The canonical SMILES for 2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine is c1ccc(CSCCSCCSCCSCc2ccccn2)nc1.
What is the InChIKey of 2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine?
The InChIKey is KSPDXZDQASIVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S4/c1-3-7-19-17(5-1)15-23-13-11-21-9-10-22-12-14-24-16-18-6-2-4-8-20-18/h1-8H,9-16H2.
What are the key properties of 2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine?
2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine has a molecular weight of 396.67 g/mol, XLogP of 5.11, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine is sourced from PubChem (CID 71346411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).