Thioacetic acid s-[4-[4-(phenylethynyl)phenyl]ethynyl]benzene-thiol ester

• CAS: 356590-07-3
• Catalog Number: ACM356590073
• Category: Biomaterials
• Molecular Weight: 384.51324
• Molecular Formula: C₂₄H₁₆OS₂
• Synonyms: S-[4-[2-[4-(2-Phenylethynyl)phenyl]ethynyl]phenyl] thioacetate;Thioacetic acid S-[4-[4-(phenylethynyl)phenyl]ethynyl]benzene-thiol ester
• IUPAC Name: S-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate
• Canonical SMILES: CC(=O)SC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3
• InChI Key: ZWLJTQTZLWBSFY-UHFFFAOYSA-N
• Exact Mass: 352.09200
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of Thioacetic acid S-[4-[4-(phenylethynyl)phenyl]ethynyl]benzene-thiol ester?

The molecular formula is C24H16OS2.

What are the synonyms of Thioacetic acid S-[4-[4-(phenylethynyl)phenyl]ethynyl]benzene-thiol ester?

The synonyms are Thioacetic acid S-[4-[4-(phenylethynyl)phenyl]ethynyl]benzene-thiol ester.

What is the molecular weight of Thioacetic acid S-[4-[4-(phenylethynyl)phenyl]ethynyl]benzene-thiol ester?

The molecular weight is 384.5 g/mol.

When was Thioacetic acid S-[4-[4-(phenylethynyl)phenyl]ethynyl]benzene-thiol ester created?

It was created on August 25, 2017.

When was Thioacetic acid S-[4-[4-(phenylethynyl)phenyl]ethynyl]benzene-thiol ester last modified?

It was last modified on December 2, 2023.

What is the IUPAC name of Thioacetic acid S-[4-[4-(phenylethynyl)phenyl]ethynyl]benzene-thiol ester?

The IUPAC name is O-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]sulfanyl ethanethioate.

What is the InChI of Thioacetic acid S-[4-[4-(phenylethynyl)phenyl]ethynyl]benzene-thiol ester?

The InChI is InChI=1S/C24H16OS2/c1-19(26)25-27-24-17-15-23(16-18-24)14-13-22-11-9-21(10-12-22)8-7-20-5-3-2-4-6-20/h2-6,9-12,15-18H,1H3.

What is the InChIKey of Thioacetic acid S-[4-[4-(phenylethynyl)phenyl]ethynyl]benzene-thiol ester?

The InChIKey is DHGXESYGXQFNBX-UHFFFAOYSA-N.

What is the canonical SMILES of Thioacetic acid S-[4-[4-(phenylethynyl)phenyl]ethynyl]benzene-thiol ester?

The canonical SMILES is CC(=S)OSC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3.

What is the XLogP3-AA value of Thioacetic acid S-[4-[4-(phenylethynyl)phenyl]ethynyl]benzene-thiol ester?

The XLogP3-AA value is 6.8.