4-prop-2-enyl-2-thiophen-2-ylthiophene

C11H10S2 — CID 175111469

IUPAC4-prop-2-enyl-2-thiophen-2-ylthiophene
SMILESC=CCc1csc(-c2cccs2)c1
InChIInChI=1S/C11H10S2/c1-2-4-9-7-11(13-8-9)10-5-3-6-12-10/h2-3,5-8H,1,4H2
InChIKeyCVBUMBRJSXGZSS-UHFFFAOYSA-N
MW206.34 g/mol
LogP4.21
Rot. Bonds3

About 4-prop-2-enyl-2-thiophen-2-ylthiophene

4-prop-2-enyl-2-thiophen-2-ylthiophene (PubChem CID 175111469) has the molecular formula C11H10S2 and a molecular weight of 206.34 g/mol. Its IUPAC name is 4-prop-2-enyl-2-thiophen-2-ylthiophene.

Molecular Properties

Compound Name4-prop-2-enyl-2-thiophen-2-ylthiophene
PubChem CID175111469
Molecular FormulaC11H10S2
Molecular Weight206.34 g/mol
Exact Mass206.02
IUPAC Name4-prop-2-enyl-2-thiophen-2-ylthiophene
SMILESC=CCc1csc(-c2cccs2)c1
InChIInChI=1S/C11H10S2/c1-2-4-9-7-11(13-8-9)10-5-3-6-12-10/h2-3,5-8H,1,4H2
InChIKeyCVBUMBRJSXGZSS-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-prop-2-enyl-2-thiophen-2-ylthiophene?
The IUPAC name of 4-prop-2-enyl-2-thiophen-2-ylthiophene (CID 175111469) is 4-prop-2-enyl-2-thiophen-2-ylthiophene.
What is the SMILES notation for 4-prop-2-enyl-2-thiophen-2-ylthiophene?
The canonical SMILES for 4-prop-2-enyl-2-thiophen-2-ylthiophene is C=CCc1csc(-c2cccs2)c1.
What is the InChIKey of 4-prop-2-enyl-2-thiophen-2-ylthiophene?
The InChIKey is CVBUMBRJSXGZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S2/c1-2-4-9-7-11(13-8-9)10-5-3-6-12-10/h2-3,5-8H,1,4H2.
What are the key properties of 4-prop-2-enyl-2-thiophen-2-ylthiophene?
4-prop-2-enyl-2-thiophen-2-ylthiophene has a molecular weight of 206.34 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-2-thiophen-2-ylthiophene is sourced from PubChem (CID 175111469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).