2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene

C17H14S3 — CID 171614647

IUPAC2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene
SMILESCc1ccc(S/C(=C/c2cccs2)c2cccs2)cc1
InChIInChI=1S/C17H14S3/c1-13-6-8-14(9-7-13)20-17(16-5-3-11-19-16)12-15-4-2-10-18-15/h2-12H,1H3/b17-12+
InChIKeyNELXPYDOMJWKEA-SFQUDFHCSA-N
MW314.50 g/mol
LogP6.41
Rot. Bonds4

About 2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene

2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene (PubChem CID 171614647) has the molecular formula C17H14S3 and a molecular weight of 314.50 g/mol. Its IUPAC name is 2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene.

Molecular Properties

Compound Name2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene
PubChem CID171614647
Molecular FormulaC17H14S3
Molecular Weight314.50 g/mol
Exact Mass314.03
IUPAC Name2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene
SMILESCc1ccc(S/C(=C/c2cccs2)c2cccs2)cc1
InChIInChI=1S/C17H14S3/c1-13-6-8-14(9-7-13)20-17(16-5-3-11-19-16)12-15-4-2-10-18-15/h2-12H,1H3/b17-12+
InChIKeyNELXPYDOMJWKEA-SFQUDFHCSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.50
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene 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 2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene?
The IUPAC name of 2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene (CID 171614647) is 2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene.
What is the SMILES notation for 2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene?
The canonical SMILES for 2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene is Cc1ccc(S/C(=C/c2cccs2)c2cccs2)cc1.
What is the InChIKey of 2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene?
The InChIKey is NELXPYDOMJWKEA-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H14S3/c1-13-6-8-14(9-7-13)20-17(16-5-3-11-19-16)12-15-4-2-10-18-15/h2-12H,1H3/b17-12+.
What are the key properties of 2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene?
2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene has a molecular weight of 314.50 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(4-methylphenyl)sulfanyl-2-thiophen-2-ylethenyl]thiophene is sourced from PubChem (CID 171614647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).