3-ethenylthiophene

C6H6S — CID 10887853

IUPAC3-ethenylthiophene
SMILESC=Cc1ccsc1
InChIInChI=1S/C6H6S/c1-2-6-3-4-7-5-6/h2-5H,1H2
InChIKeyBOJMHHBWYPDQQH-UHFFFAOYSA-N
MW110.18 g/mol
LogP2.39
Rot. Bonds1

About 3-ethenylthiophene

3-ethenylthiophene (PubChem CID 10887853) has the molecular formula C6H6S and a molecular weight of 110.18 g/mol. Its IUPAC name is 3-ethenylthiophene.

Molecular Properties

Compound Name3-ethenylthiophene
PubChem CID10887853
Molecular FormulaC6H6S
Molecular Weight110.18 g/mol
Exact Mass110.02
IUPAC Name3-ethenylthiophene
SMILESC=Cc1ccsc1
InChIInChI=1S/C6H6S/c1-2-6-3-4-7-5-6/h2-5H,1H2
InChIKeyBOJMHHBWYPDQQH-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 3-ethenylthiophene?
The IUPAC name of 3-ethenylthiophene (CID 10887853) is 3-ethenylthiophene.
What is the SMILES notation for 3-ethenylthiophene?
The canonical SMILES for 3-ethenylthiophene is C=Cc1ccsc1.
What is the InChIKey of 3-ethenylthiophene?
The InChIKey is BOJMHHBWYPDQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6S/c1-2-6-3-4-7-5-6/h2-5H,1H2.
What are the key properties of 3-ethenylthiophene?
3-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 3-ethenylthiophene is sourced from PubChem (CID 10887853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).