3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine

C7H8BrNS2 — CID 130835217

IUPAC3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine
SMILESCSCSc1ncccc1Br
InChIInChI=1S/C7H8BrNS2/c1-10-5-11-7-6(8)3-2-4-9-7/h2-4H,5H2,1H3
InChIKeyYJZKYBLOVZILJV-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.26
Rot. Bonds3

About 3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine

3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine (PubChem CID 130835217) has the molecular formula C7H8BrNS2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine
PubChem CID130835217
Molecular FormulaC7H8BrNS2
Molecular Weight250.19 g/mol
Exact Mass248.93
IUPAC Name3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine
SMILESCSCSc1ncccc1Br
InChIInChI=1S/C7H8BrNS2/c1-10-5-11-7-6(8)3-2-4-9-7/h2-4H,5H2,1H3
InChIKeyYJZKYBLOVZILJV-UHFFFAOYSA-N
XLogP3.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine?
The IUPAC name of 3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine (CID 130835217) is 3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine.
What is the SMILES notation for 3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine?
The canonical SMILES for 3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine is CSCSc1ncccc1Br.
What is the InChIKey of 3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine?
The InChIKey is YJZKYBLOVZILJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNS2/c1-10-5-11-7-6(8)3-2-4-9-7/h2-4H,5H2,1H3.
What are the key properties of 3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine?
3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine has a molecular weight of 250.19 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(methylsulfanylmethylsulfanyl)pyridine is sourced from PubChem (CID 130835217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).