2-(thiophen-2-yldisulfanyl)-1H-pyrrole

C8H7NS3 — CID 141130220

IUPAC2-(thiophen-2-yldisulfanyl)-1H-pyrrole
SMILESc1c[nH]c(SSc2cccs2)c1
InChIInChI=1S/C8H7NS3/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6,9H
InChIKeyINTMMRWCHGSAJV-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.88
Rot. Bonds3

About 2-(thiophen-2-yldisulfanyl)-1H-pyrrole

2-(thiophen-2-yldisulfanyl)-1H-pyrrole (PubChem CID 141130220) has the molecular formula C8H7NS3 and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(thiophen-2-yldisulfanyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(thiophen-2-yldisulfanyl)-1H-pyrrole
PubChem CID141130220
Molecular FormulaC8H7NS3
Molecular Weight213.35 g/mol
Exact Mass212.97
IUPAC Name2-(thiophen-2-yldisulfanyl)-1H-pyrrole
SMILESc1c[nH]c(SSc2cccs2)c1
InChIInChI=1S/C8H7NS3/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6,9H
InChIKeyINTMMRWCHGSAJV-UHFFFAOYSA-N
XLogP3.88
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(thiophen-2-yldisulfanyl)-1H-pyrrole 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-(thiophen-2-yldisulfanyl)-1H-pyrrole?
The IUPAC name of 2-(thiophen-2-yldisulfanyl)-1H-pyrrole (CID 141130220) is 2-(thiophen-2-yldisulfanyl)-1H-pyrrole.
What is the SMILES notation for 2-(thiophen-2-yldisulfanyl)-1H-pyrrole?
The canonical SMILES for 2-(thiophen-2-yldisulfanyl)-1H-pyrrole is c1c[nH]c(SSc2cccs2)c1.
What is the InChIKey of 2-(thiophen-2-yldisulfanyl)-1H-pyrrole?
The InChIKey is INTMMRWCHGSAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS3/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6,9H.
What are the key properties of 2-(thiophen-2-yldisulfanyl)-1H-pyrrole?
2-(thiophen-2-yldisulfanyl)-1H-pyrrole has a molecular weight of 213.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-yldisulfanyl)-1H-pyrrole is sourced from PubChem (CID 141130220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).