2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol

C11H17NS4 — CID 175064899

IUPAC2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol
SMILESSCCSCCSCCSc1ccccn1
InChIInChI=1S/C11H17NS4/c13-5-6-14-7-8-15-9-10-16-11-3-1-2-4-12-11/h1-4,13H,5-10H2
InChIKeyYBDJRUXKKSECHB-UHFFFAOYSA-N
MW291.53 g/mol
LogP3.57
Rot. Bonds9

About 2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol

2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol (PubChem CID 175064899) has the molecular formula C11H17NS4 and a molecular weight of 291.53 g/mol. Its IUPAC name is 2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol.

Molecular Properties

Compound Name2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol
PubChem CID175064899
Molecular FormulaC11H17NS4
Molecular Weight291.53 g/mol
Exact Mass291.02
IUPAC Name2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol
SMILESSCCSCCSCCSc1ccccn1
InChIInChI=1S/C11H17NS4/c13-5-6-14-7-8-15-9-10-16-11-3-1-2-4-12-11/h1-4,13H,5-10H2
InChIKeyYBDJRUXKKSECHB-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol?
The IUPAC name of 2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol (CID 175064899) is 2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol.
What is the SMILES notation for 2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol?
The canonical SMILES for 2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol is SCCSCCSCCSc1ccccn1.
What is the InChIKey of 2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol?
The InChIKey is YBDJRUXKKSECHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS4/c13-5-6-14-7-8-15-9-10-16-11-3-1-2-4-12-11/h1-4,13H,5-10H2.
What are the key properties of 2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol?
2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol has a molecular weight of 291.53 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyridin-2-ylsulfanylethylsulfanyl)ethylsulfanyl]ethanethiol is sourced from PubChem (CID 175064899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).