2-(pyridin-2-yldisulfanyl)ethanol

C7H9NOS2 — CID 3653053

IUPAC2-(pyridin-2-yldisulfanyl)ethanol
SMILESOCCSSc1ccccn1
InChIInChI=1S/C7H9NOS2/c9-5-6-10-11-7-3-1-2-4-8-7/h1-4,9H,5-6H2
InChIKeyPORTXTUJPQINJC-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.81
Rot. Bonds4

About 2-(pyridin-2-yldisulfanyl)ethanol

2-(pyridin-2-yldisulfanyl)ethanol (PubChem CID 3653053) has the molecular formula C7H9NOS2 and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-(pyridin-2-yldisulfanyl)ethanol.

Molecular Properties

Compound Name2-(pyridin-2-yldisulfanyl)ethanol
PubChem CID3653053
Molecular FormulaC7H9NOS2
Molecular Weight187.29 g/mol
Exact Mass187.01
IUPAC Name2-(pyridin-2-yldisulfanyl)ethanol
SMILESOCCSSc1ccccn1
InChIInChI=1S/C7H9NOS2/c9-5-6-10-11-7-3-1-2-4-8-7/h1-4,9H,5-6H2
InChIKeyPORTXTUJPQINJC-UHFFFAOYSA-N
XLogP1.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-yldisulfanyl)ethanol?
The IUPAC name of 2-(pyridin-2-yldisulfanyl)ethanol (CID 3653053) is 2-(pyridin-2-yldisulfanyl)ethanol.
What is the SMILES notation for 2-(pyridin-2-yldisulfanyl)ethanol?
The canonical SMILES for 2-(pyridin-2-yldisulfanyl)ethanol is OCCSSc1ccccn1.
What is the InChIKey of 2-(pyridin-2-yldisulfanyl)ethanol?
The InChIKey is PORTXTUJPQINJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS2/c9-5-6-10-11-7-3-1-2-4-8-7/h1-4,9H,5-6H2.
What are the key properties of 2-(pyridin-2-yldisulfanyl)ethanol?
2-(pyridin-2-yldisulfanyl)ethanol has a molecular weight of 187.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-yldisulfanyl)ethanol is sourced from PubChem (CID 3653053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).