3-thiophen-3-yl-1-benzofuran

C12H8OS — CID 54184853

IUPAC3-thiophen-3-yl-1-benzofuran
SMILESc1ccc2c(-c3ccsc3)coc2c1
InChIInChI=1S/C12H8OS/c1-2-4-12-10(3-1)11(7-13-12)9-5-6-14-8-9/h1-8H
InChIKeyVRIOKRDECJLFTK-UHFFFAOYSA-N
MW200.26 g/mol
LogP4.16
Rot. Bonds1

About 3-thiophen-3-yl-1-benzofuran

3-thiophen-3-yl-1-benzofuran (PubChem CID 54184853) has the molecular formula C12H8OS and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-thiophen-3-yl-1-benzofuran.

Molecular Properties

Compound Name3-thiophen-3-yl-1-benzofuran
PubChem CID54184853
Molecular FormulaC12H8OS
Molecular Weight200.26 g/mol
Exact Mass200.03
IUPAC Name3-thiophen-3-yl-1-benzofuran
SMILESc1ccc2c(-c3ccsc3)coc2c1
InChIInChI=1S/C12H8OS/c1-2-4-12-10(3-1)11(7-13-12)9-5-6-14-8-9/h1-8H
InChIKeyVRIOKRDECJLFTK-UHFFFAOYSA-N
XLogP4.16
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-1-benzofuran?
The IUPAC name of 3-thiophen-3-yl-1-benzofuran (CID 54184853) is 3-thiophen-3-yl-1-benzofuran.
What is the SMILES notation for 3-thiophen-3-yl-1-benzofuran?
The canonical SMILES for 3-thiophen-3-yl-1-benzofuran is c1ccc2c(-c3ccsc3)coc2c1.
What is the InChIKey of 3-thiophen-3-yl-1-benzofuran?
The InChIKey is VRIOKRDECJLFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8OS/c1-2-4-12-10(3-1)11(7-13-12)9-5-6-14-8-9/h1-8H.
What are the key properties of 3-thiophen-3-yl-1-benzofuran?
3-thiophen-3-yl-1-benzofuran has a molecular weight of 200.26 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-1-benzofuran is sourced from PubChem (CID 54184853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).