2-thiophen-2-yl-1-benzothiophene

C12H8S2 — CID 15181184

IUPAC2-thiophen-2-yl-1-benzothiophene
SMILESc1csc(-c2cc3ccccc3s2)c1
InChIInChI=1S/C12H8S2/c1-2-5-10-9(4-1)8-12(14-10)11-6-3-7-13-11/h1-8H
InChIKeyZNPHICPFIHYTRP-UHFFFAOYSA-N
MW216.33 g/mol
LogP4.63
Rot. Bonds1

About 2-thiophen-2-yl-1-benzothiophene

2-thiophen-2-yl-1-benzothiophene (PubChem CID 15181184) has the molecular formula C12H8S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-thiophen-2-yl-1-benzothiophene.

Molecular Properties

Compound Name2-thiophen-2-yl-1-benzothiophene
PubChem CID15181184
Molecular FormulaC12H8S2
Molecular Weight216.33 g/mol
Exact Mass216.01
IUPAC Name2-thiophen-2-yl-1-benzothiophene
SMILESc1csc(-c2cc3ccccc3s2)c1
InChIInChI=1S/C12H8S2/c1-2-5-10-9(4-1)8-12(14-10)11-6-3-7-13-11/h1-8H
InChIKeyZNPHICPFIHYTRP-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-thiophen-2-yl-1-benzothiophene 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-yl-1-benzothiophene?
The IUPAC name of 2-thiophen-2-yl-1-benzothiophene (CID 15181184) is 2-thiophen-2-yl-1-benzothiophene.
What is the SMILES notation for 2-thiophen-2-yl-1-benzothiophene?
The canonical SMILES for 2-thiophen-2-yl-1-benzothiophene is c1csc(-c2cc3ccccc3s2)c1.
What is the InChIKey of 2-thiophen-2-yl-1-benzothiophene?
The InChIKey is ZNPHICPFIHYTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S2/c1-2-5-10-9(4-1)8-12(14-10)11-6-3-7-13-11/h1-8H.
What are the key properties of 2-thiophen-2-yl-1-benzothiophene?
2-thiophen-2-yl-1-benzothiophene has a molecular weight of 216.33 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1-benzothiophene is sourced from PubChem (CID 15181184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).