2-ethenylthiophene

C6H6S — CID 519642

IUPAC2-ethenylthiophene
SMILESC=Cc1cccs1
InChIInChI=1S/C6H6S/c1-2-6-4-3-5-7-6/h2-5H,1H2
InChIKeyORNUPNRNNSVZTC-UHFFFAOYSA-N
MW110.18 g/mol
LogP2.39
Rot. Bonds1

About 2-ethenylthiophene

2-ethenylthiophene (PubChem CID 519642) has the molecular formula C6H6S and a molecular weight of 110.18 g/mol. Its IUPAC name is 2-ethenylthiophene.

Molecular Properties

Compound Name2-ethenylthiophene
PubChem CID519642
Molecular FormulaC6H6S
Molecular Weight110.18 g/mol
Exact Mass110.02
IUPAC Name2-ethenylthiophene
SMILESC=Cc1cccs1
InChIInChI=1S/C6H6S/c1-2-6-4-3-5-7-6/h2-5H,1H2
InChIKeyORNUPNRNNSVZTC-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylthiophene?
The IUPAC name of 2-ethenylthiophene (CID 519642) is 2-ethenylthiophene.
What is the SMILES notation for 2-ethenylthiophene?
The canonical SMILES for 2-ethenylthiophene is C=Cc1cccs1.
What is the InChIKey of 2-ethenylthiophene?
The InChIKey is ORNUPNRNNSVZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6S/c1-2-6-4-3-5-7-6/h2-5H,1H2.
What are the key properties of 2-ethenylthiophene?
2-ethenylthiophene has a molecular weight of 110.18 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylthiophene is sourced from PubChem (CID 519642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).