6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol

C10H8N2S2 — CID 152516981

IUPAC6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol
SMILESSc1ccc(-c2ccc(S)cn2)nc1
InChIInChI=1S/C10H8N2S2/c13-7-1-3-9(11-5-7)10-4-2-8(14)6-12-10/h1-6,13-14H
InChIKeyYGSNVUFYHORGQX-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.72
Rot. Bonds1

About 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol

6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol (PubChem CID 152516981) has the molecular formula C10H8N2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol.

Molecular Properties

Compound Name6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol
PubChem CID152516981
Molecular FormulaC10H8N2S2
Molecular Weight220.32 g/mol
Exact Mass220.01
IUPAC Name6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol
SMILESSc1ccc(-c2ccc(S)cn2)nc1
InChIInChI=1S/C10H8N2S2/c13-7-1-3-9(11-5-7)10-4-2-8(14)6-12-10/h1-6,13-14H
InChIKeyYGSNVUFYHORGQX-UHFFFAOYSA-N
XLogP2.72
TPSA25.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol?
The IUPAC name of 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol (CID 152516981) is 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol.
What is the SMILES notation for 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol?
The canonical SMILES for 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol is Sc1ccc(-c2ccc(S)cn2)nc1.
What is the InChIKey of 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol?
The InChIKey is YGSNVUFYHORGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S2/c13-7-1-3-9(11-5-7)10-4-2-8(14)6-12-10/h1-6,13-14H.
What are the key properties of 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol?
6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol has a molecular weight of 220.32 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-sulfanyl-2-pyridinyl)pyridine-3-thiol is sourced from PubChem (CID 152516981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).