3-ethyl-2-prop-2-enylthiophene

C9H12S — CID 139649672

IUPAC3-ethyl-2-prop-2-enylthiophene
SMILESC=CCc1sccc1CC
InChIInChI=1S/C9H12S/c1-3-5-9-8(4-2)6-7-10-9/h3,6-7H,1,4-5H2,2H3
InChIKeyWHEKZQGKBWNIMG-UHFFFAOYSA-N
MW152.26 g/mol
LogP3.04
Rot. Bonds3

About 3-ethyl-2-prop-2-enylthiophene

3-ethyl-2-prop-2-enylthiophene (PubChem CID 139649672) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is 3-ethyl-2-prop-2-enylthiophene.

Molecular Properties

Compound Name3-ethyl-2-prop-2-enylthiophene
PubChem CID139649672
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name3-ethyl-2-prop-2-enylthiophene
SMILESC=CCc1sccc1CC
InChIInChI=1S/C9H12S/c1-3-5-9-8(4-2)6-7-10-9/h3,6-7H,1,4-5H2,2H3
InChIKeyWHEKZQGKBWNIMG-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-prop-2-enylthiophene?
The IUPAC name of 3-ethyl-2-prop-2-enylthiophene (CID 139649672) is 3-ethyl-2-prop-2-enylthiophene.
What is the SMILES notation for 3-ethyl-2-prop-2-enylthiophene?
The canonical SMILES for 3-ethyl-2-prop-2-enylthiophene is C=CCc1sccc1CC.
What is the InChIKey of 3-ethyl-2-prop-2-enylthiophene?
The InChIKey is WHEKZQGKBWNIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S/c1-3-5-9-8(4-2)6-7-10-9/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 3-ethyl-2-prop-2-enylthiophene?
3-ethyl-2-prop-2-enylthiophene has a molecular weight of 152.26 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-prop-2-enylthiophene is sourced from PubChem (CID 139649672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).