2-thiophen-2-yliodanuidylthiophene

C8H6IS2- — CID 139891725

IUPAC2-thiophen-2-yliodanuidylthiophene
SMILESc1csc([I-]c2cccs2)c1
InChIInChI=1S/C8H6IS2/c1-3-7(10-5-1)9-8-4-2-6-11-8/h1-6H/q-1
InChIKeyJCVBTLYQDVFDJJ-UHFFFAOYSA-N
MW293.17 g/mol
LogP-0.06
Rot. Bonds2

About 2-thiophen-2-yliodanuidylthiophene

2-thiophen-2-yliodanuidylthiophene (PubChem CID 139891725) has the molecular formula C8H6IS2- and a molecular weight of 293.17 g/mol. Its IUPAC name is 2-thiophen-2-yliodanuidylthiophene.

Molecular Properties

Compound Name2-thiophen-2-yliodanuidylthiophene
PubChem CID139891725
Molecular FormulaC8H6IS2-
Molecular Weight293.17 g/mol
Exact Mass292.90
IUPAC Name2-thiophen-2-yliodanuidylthiophene
SMILESc1csc([I-]c2cccs2)c1
InChIInChI=1S/C8H6IS2/c1-3-7(10-5-1)9-8-4-2-6-11-8/h1-6H/q-1
InChIKeyJCVBTLYQDVFDJJ-UHFFFAOYSA-N
XLogP-0.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-thiophen-2-yliodanuidylthiophene 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-yliodanuidylthiophene?
The IUPAC name of 2-thiophen-2-yliodanuidylthiophene (CID 139891725) is 2-thiophen-2-yliodanuidylthiophene.
What is the SMILES notation for 2-thiophen-2-yliodanuidylthiophene?
The canonical SMILES for 2-thiophen-2-yliodanuidylthiophene is c1csc([I-]c2cccs2)c1.
What is the InChIKey of 2-thiophen-2-yliodanuidylthiophene?
The InChIKey is JCVBTLYQDVFDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6IS2/c1-3-7(10-5-1)9-8-4-2-6-11-8/h1-6H/q-1.
What are the key properties of 2-thiophen-2-yliodanuidylthiophene?
2-thiophen-2-yliodanuidylthiophene has a molecular weight of 293.17 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yliodanuidylthiophene is sourced from PubChem (CID 139891725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).