4-ethenyl-5-methyl-1-benzothiophene

C11H10S — CID 123205107

IUPAC4-ethenyl-5-methyl-1-benzothiophene
SMILESC=Cc1c(C)ccc2sccc12
InChIInChI=1S/C11H10S/c1-3-9-8(2)4-5-11-10(9)6-7-12-11/h3-7H,1H2,2H3
InChIKeyMAUHKMOBECAPJT-UHFFFAOYSA-N
MW174.27 g/mol
LogP3.85
Rot. Bonds1

About 4-ethenyl-5-methyl-1-benzothiophene

4-ethenyl-5-methyl-1-benzothiophene (PubChem CID 123205107) has the molecular formula C11H10S and a molecular weight of 174.27 g/mol. Its IUPAC name is 4-ethenyl-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name4-ethenyl-5-methyl-1-benzothiophene
PubChem CID123205107
Molecular FormulaC11H10S
Molecular Weight174.27 g/mol
Exact Mass174.05
IUPAC Name4-ethenyl-5-methyl-1-benzothiophene
SMILESC=Cc1c(C)ccc2sccc12
InChIInChI=1S/C11H10S/c1-3-9-8(2)4-5-11-10(9)6-7-12-11/h3-7H,1H2,2H3
InChIKeyMAUHKMOBECAPJT-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethenyl-5-methyl-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-methyl-1-benzothiophene?
The IUPAC name of 4-ethenyl-5-methyl-1-benzothiophene (CID 123205107) is 4-ethenyl-5-methyl-1-benzothiophene.
What is the SMILES notation for 4-ethenyl-5-methyl-1-benzothiophene?
The canonical SMILES for 4-ethenyl-5-methyl-1-benzothiophene is C=Cc1c(C)ccc2sccc12.
What is the InChIKey of 4-ethenyl-5-methyl-1-benzothiophene?
The InChIKey is MAUHKMOBECAPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S/c1-3-9-8(2)4-5-11-10(9)6-7-12-11/h3-7H,1H2,2H3.
What are the key properties of 4-ethenyl-5-methyl-1-benzothiophene?
4-ethenyl-5-methyl-1-benzothiophene has a molecular weight of 174.27 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-methyl-1-benzothiophene is sourced from PubChem (CID 123205107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).