2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine

C19H26N2S4 — CID 155673869

IUPAC2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine
SMILESCSCCSCCCSCC(SCc1ccccn1)c1ccccn1
InChIInChI=1S/C19H26N2S4/c1-22-13-14-23-11-6-12-24-16-19(18-8-3-5-10-21-18)25-15-17-7-2-4-9-20-17/h2-5,7-10,19H,6,11-16H2,1H3
InChIKeyGFCVUISGSKJFQU-UHFFFAOYSA-N
MW410.70 g/mol
LogP5.67
Rot. Bonds13

About 2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine

2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine (PubChem CID 155673869) has the molecular formula C19H26N2S4 and a molecular weight of 410.70 g/mol. Its IUPAC name is 2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine
PubChem CID155673869
Molecular FormulaC19H26N2S4
Molecular Weight410.70 g/mol
Exact Mass410.10
IUPAC Name2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine
SMILESCSCCSCCCSCC(SCc1ccccn1)c1ccccn1
InChIInChI=1S/C19H26N2S4/c1-22-13-14-23-11-6-12-24-16-19(18-8-3-5-10-21-18)25-15-17-7-2-4-9-20-17/h2-5,7-10,19H,6,11-16H2,1H3
InChIKeyGFCVUISGSKJFQU-UHFFFAOYSA-N
XLogP5.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.70
LogP ≤ 55.67
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-(2-methylsulfanylethylsulfanylmethyl)pyridine
CID 175223046
2-[2-[2-[2-(pyridin-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]pyridine
CID 71346411
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
2-(2-hexylsulfanylethyl)pyridine
CID 95562090
N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine
CID 116831660
2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
CID 86021150
2-(2-methoxy-1-methylsulfanylethyl)pyridine
CID 146229579
3-(pyridin-2-ylmethylsulfanyl)propane-1,2-diol
CID 79682125
2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine
CID 66225834
2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine
CID 13061964
[3-methyl-4-[3-(pyridin-2-ylmethylsulfanyl)propylsulfanyl]-2-pyridinyl]methanol;[3-methyl-4-(3-sulfanylpropylsulfanyl)-2-pyridinyl]methanol;hydrochloride
CID 157407092
2-[2-methylsulfanylethyl(pyridin-2-ylmethyl)amino]ethanethiol
CID 102450368

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine?
The IUPAC name of 2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine (CID 155673869) is 2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine.
What is the SMILES notation for 2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine?
The canonical SMILES for 2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine is CSCCSCCCSCC(SCc1ccccn1)c1ccccn1.
What is the InChIKey of 2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine?
The InChIKey is GFCVUISGSKJFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2S4/c1-22-13-14-23-11-6-12-24-16-19(18-8-3-5-10-21-18)25-15-17-7-2-4-9-20-17/h2-5,7-10,19H,6,11-16H2,1H3.
What are the key properties of 2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine?
2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine has a molecular weight of 410.70 g/mol, XLogP of 5.67, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(2-methylsulfanylethylsulfanyl)propylsulfanyl]-1-pyridin-2-ylethyl]sulfanylmethyl]pyridine is sourced from PubChem (CID 155673869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).