2-ethenyl-1-benzothiophene

C10H8S — CID 11355649

IUPAC2-ethenyl-1-benzothiophene
SMILESC=Cc1cc2ccccc2s1
InChIInChI=1S/C10H8S/c1-2-9-7-8-5-3-4-6-10(8)11-9/h2-7H,1H2
InChIKeyUEPFNQXGOLWTAD-UHFFFAOYSA-N
MW160.24 g/mol
LogP3.54
Rot. Bonds1

About 2-ethenyl-1-benzothiophene

2-ethenyl-1-benzothiophene (PubChem CID 11355649) has the molecular formula C10H8S and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-ethenyl-1-benzothiophene.

Molecular Properties

Compound Name2-ethenyl-1-benzothiophene
PubChem CID11355649
Molecular FormulaC10H8S
Molecular Weight160.24 g/mol
Exact Mass160.03
IUPAC Name2-ethenyl-1-benzothiophene
SMILESC=Cc1cc2ccccc2s1
InChIInChI=1S/C10H8S/c1-2-9-7-8-5-3-4-6-10(8)11-9/h2-7H,1H2
InChIKeyUEPFNQXGOLWTAD-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-benzothiophene?
The IUPAC name of 2-ethenyl-1-benzothiophene (CID 11355649) is 2-ethenyl-1-benzothiophene.
What is the SMILES notation for 2-ethenyl-1-benzothiophene?
The canonical SMILES for 2-ethenyl-1-benzothiophene is C=Cc1cc2ccccc2s1.
What is the InChIKey of 2-ethenyl-1-benzothiophene?
The InChIKey is UEPFNQXGOLWTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8S/c1-2-9-7-8-5-3-4-6-10(8)11-9/h2-7H,1H2.
What are the key properties of 2-ethenyl-1-benzothiophene?
2-ethenyl-1-benzothiophene has a molecular weight of 160.24 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-benzothiophene is sourced from PubChem (CID 11355649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).