2-thiophen-3-yl-1-benzothiophene

C12H8S2 — CID 54222935

IUPAC2-thiophen-3-yl-1-benzothiophene
SMILESc1ccc2sc(-c3ccsc3)cc2c1
InChIInChI=1S/C12H8S2/c1-2-4-11-9(3-1)7-12(14-11)10-5-6-13-8-10/h1-8H
InChIKeyATJPJAGDNHOCQU-UHFFFAOYSA-N
MW216.33 g/mol
LogP4.63
Rot. Bonds1

About 2-thiophen-3-yl-1-benzothiophene

2-thiophen-3-yl-1-benzothiophene (PubChem CID 54222935) has the molecular formula C12H8S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-thiophen-3-yl-1-benzothiophene.

Molecular Properties

Compound Name2-thiophen-3-yl-1-benzothiophene
PubChem CID54222935
Molecular FormulaC12H8S2
Molecular Weight216.33 g/mol
Exact Mass216.01
IUPAC Name2-thiophen-3-yl-1-benzothiophene
SMILESc1ccc2sc(-c3ccsc3)cc2c1
InChIInChI=1S/C12H8S2/c1-2-4-11-9(3-1)7-12(14-11)10-5-6-13-8-10/h1-8H
InChIKeyATJPJAGDNHOCQU-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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-1-benzothiophene?
The IUPAC name of 2-thiophen-3-yl-1-benzothiophene (CID 54222935) is 2-thiophen-3-yl-1-benzothiophene.
What is the SMILES notation for 2-thiophen-3-yl-1-benzothiophene?
The canonical SMILES for 2-thiophen-3-yl-1-benzothiophene is c1ccc2sc(-c3ccsc3)cc2c1.
What is the InChIKey of 2-thiophen-3-yl-1-benzothiophene?
The InChIKey is ATJPJAGDNHOCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S2/c1-2-4-11-9(3-1)7-12(14-11)10-5-6-13-8-10/h1-8H.
What are the key properties of 2-thiophen-3-yl-1-benzothiophene?
2-thiophen-3-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-3-yl-1-benzothiophene is sourced from PubChem (CID 54222935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).