3-ethenyl-2-phenylthiophene

C12H10S — CID 172700355

IUPAC3-ethenyl-2-phenylthiophene
SMILESC=Cc1ccsc1-c1ccccc1
InChIInChI=1S/C12H10S/c1-2-10-8-9-13-12(10)11-6-4-3-5-7-11/h2-9H,1H2
InChIKeyCWNUBXQJXSKZEW-UHFFFAOYSA-N
MW186.28 g/mol
LogP4.06
Rot. Bonds2

About 3-ethenyl-2-phenylthiophene

3-ethenyl-2-phenylthiophene (PubChem CID 172700355) has the molecular formula C12H10S and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-ethenyl-2-phenylthiophene.

Molecular Properties

Compound Name3-ethenyl-2-phenylthiophene
PubChem CID172700355
Molecular FormulaC12H10S
Molecular Weight186.28 g/mol
Exact Mass186.05
IUPAC Name3-ethenyl-2-phenylthiophene
SMILESC=Cc1ccsc1-c1ccccc1
InChIInChI=1S/C12H10S/c1-2-10-8-9-13-12(10)11-6-4-3-5-7-11/h2-9H,1H2
InChIKeyCWNUBXQJXSKZEW-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethenyl-2-phenylthiophene 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 3-ethenyl-2-phenylthiophene?
The IUPAC name of 3-ethenyl-2-phenylthiophene (CID 172700355) is 3-ethenyl-2-phenylthiophene.
What is the SMILES notation for 3-ethenyl-2-phenylthiophene?
The canonical SMILES for 3-ethenyl-2-phenylthiophene is C=Cc1ccsc1-c1ccccc1.
What is the InChIKey of 3-ethenyl-2-phenylthiophene?
The InChIKey is CWNUBXQJXSKZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S/c1-2-10-8-9-13-12(10)11-6-4-3-5-7-11/h2-9H,1H2.
What are the key properties of 3-ethenyl-2-phenylthiophene?
3-ethenyl-2-phenylthiophene has a molecular weight of 186.28 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-phenylthiophene is sourced from PubChem (CID 172700355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).