2-(1-benzothiophen-2-yl)-1-benzothiophene

C16H10S2 — CID 816707

IUPAC2-(1-benzothiophen-2-yl)-1-benzothiophene
SMILESc1ccc2sc(-c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C16H10S2/c1-3-7-13-11(5-1)9-15(17-13)16-10-12-6-2-4-8-14(12)18-16/h1-10H
InChIKeyMYRRBWKIXOAHFA-UHFFFAOYSA-N
MW266.39 g/mol
LogP5.78
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)-1-benzothiophene

2-(1-benzothiophen-2-yl)-1-benzothiophene (PubChem CID 816707) has the molecular formula C16H10S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-1-benzothiophene.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-1-benzothiophene
PubChem CID816707
Molecular FormulaC16H10S2
Molecular Weight266.39 g/mol
Exact Mass266.02
IUPAC Name2-(1-benzothiophen-2-yl)-1-benzothiophene
SMILESc1ccc2sc(-c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C16H10S2/c1-3-7-13-11(5-1)9-15(17-13)16-10-12-6-2-4-8-14(12)18-16/h1-10H
InChIKeyMYRRBWKIXOAHFA-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.39
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-benzothiophen-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-(1-benzothiophen-2-yl)-1-benzothiophene?
The IUPAC name of 2-(1-benzothiophen-2-yl)-1-benzothiophene (CID 816707) is 2-(1-benzothiophen-2-yl)-1-benzothiophene.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-1-benzothiophene?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-1-benzothiophene is c1ccc2sc(-c3cc4ccccc4s3)cc2c1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-1-benzothiophene?
The InChIKey is MYRRBWKIXOAHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10S2/c1-3-7-13-11(5-1)9-15(17-13)16-10-12-6-2-4-8-14(12)18-16/h1-10H.
What are the key properties of 2-(1-benzothiophen-2-yl)-1-benzothiophene?
2-(1-benzothiophen-2-yl)-1-benzothiophene has a molecular weight of 266.39 g/mol, XLogP of 5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-1-benzothiophene is sourced from PubChem (CID 816707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).