2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine

C13H8BrNS3 — CID 90108006

IUPAC2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine
SMILESBrc1ccc(-c2sccc2Sc2ccccn2)s1
InChIInChI=1S/C13H8BrNS3/c14-11-5-4-9(17-11)13-10(6-8-16-13)18-12-3-1-2-7-15-12/h1-8H
InChIKeyJBUGAWLYUIUPKK-UHFFFAOYSA-N
MW354.32 g/mol
LogP5.79
Rot. Bonds3

About 2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine

2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine (PubChem CID 90108006) has the molecular formula C13H8BrNS3 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine
PubChem CID90108006
Molecular FormulaC13H8BrNS3
Molecular Weight354.32 g/mol
Exact Mass352.90
IUPAC Name2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine
SMILESBrc1ccc(-c2sccc2Sc2ccccn2)s1
InChIInChI=1S/C13H8BrNS3/c14-11-5-4-9(17-11)13-10(6-8-16-13)18-12-3-1-2-7-15-12/h1-8H
InChIKeyJBUGAWLYUIUPKK-UHFFFAOYSA-N
XLogP5.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.32
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine 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 2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine?
The IUPAC name of 2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine (CID 90108006) is 2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine.
What is the SMILES notation for 2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine?
The canonical SMILES for 2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine is Brc1ccc(-c2sccc2Sc2ccccn2)s1.
What is the InChIKey of 2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine?
The InChIKey is JBUGAWLYUIUPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNS3/c14-11-5-4-9(17-11)13-10(6-8-16-13)18-12-3-1-2-7-15-12/h1-8H.
What are the key properties of 2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine?
2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine has a molecular weight of 354.32 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-2-yl)thiophen-3-yl]sulfanylpyridine is sourced from PubChem (CID 90108006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).