2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione

C14H10N2S2 — CID 150089442

IUPAC2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione
SMILESCc1cncc(N2C(=S)c3ccccc3C2=S)c1
InChIInChI=1S/C14H10N2S2/c1-9-6-10(8-15-7-9)16-13(17)11-4-2-3-5-12(11)14(16)18/h2-8H,1H3
InChIKeyDSXMAPMFDWVJRI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.26
Rot. Bonds1

About 2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione

2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione (PubChem CID 150089442) has the molecular formula C14H10N2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione.

Molecular Properties

Compound Name2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione
PubChem CID150089442
Molecular FormulaC14H10N2S2
Molecular Weight270.38 g/mol
Exact Mass270.03
IUPAC Name2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione
SMILESCc1cncc(N2C(=S)c3ccccc3C2=S)c1
InChIInChI=1S/C14H10N2S2/c1-9-6-10(8-15-7-9)16-13(17)11-4-2-3-5-12(11)14(16)18/h2-8H,1H3
InChIKeyDSXMAPMFDWVJRI-UHFFFAOYSA-N
XLogP3.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione?
The IUPAC name of 2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione (CID 150089442) is 2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione.
What is the SMILES notation for 2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione?
The canonical SMILES for 2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione is Cc1cncc(N2C(=S)c3ccccc3C2=S)c1.
What is the InChIKey of 2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione?
The InChIKey is DSXMAPMFDWVJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S2/c1-9-6-10(8-15-7-9)16-13(17)11-4-2-3-5-12(11)14(16)18/h2-8H,1H3.
What are the key properties of 2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione?
2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione has a molecular weight of 270.38 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-pyridinyl)isoindole-1,3-dithione is sourced from PubChem (CID 150089442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).