3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione

C10H8N2S4 — CID 12877148

IUPAC3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione
SMILESS=c1[nH]cccc1SSc1ccc[nH]c1=S
InChIInChI=1S/C10H8N2S4/c13-9-7(3-1-5-11-9)15-16-8-4-2-6-12-10(8)14/h1-6H,(H,11,13)(H,12,14)
InChIKeyFXMLONSAVYNDDD-UHFFFAOYSA-N
MW284.46 g/mol
LogP4.60
Rot. Bonds3

About 3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione

3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione (PubChem CID 12877148) has the molecular formula C10H8N2S4 and a molecular weight of 284.46 g/mol. Its IUPAC name is 3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione
PubChem CID12877148
Molecular FormulaC10H8N2S4
Molecular Weight284.46 g/mol
Exact Mass283.96
IUPAC Name3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione
SMILESS=c1[nH]cccc1SSc1ccc[nH]c1=S
InChIInChI=1S/C10H8N2S4/c13-9-7(3-1-5-11-9)15-16-8-4-2-6-12-10(8)14/h1-6H,(H,11,13)(H,12,14)
InChIKeyFXMLONSAVYNDDD-UHFFFAOYSA-N
XLogP4.60
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione?
The IUPAC name of 3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione (CID 12877148) is 3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione.
What is the SMILES notation for 3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione?
The canonical SMILES for 3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione is S=c1[nH]cccc1SSc1ccc[nH]c1=S.
What is the InChIKey of 3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione?
The InChIKey is FXMLONSAVYNDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S4/c13-9-7(3-1-5-11-9)15-16-8-4-2-6-12-10(8)14/h1-6H,(H,11,13)(H,12,14).
What are the key properties of 3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione?
3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione has a molecular weight of 284.46 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-sulfanylidene-1H-pyridin-3-yl)disulfanyl]-1H-pyridine-2-thione is sourced from PubChem (CID 12877148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).