2-(2-thienyl)ethanethioic O-acid
TL;DR: 2-(2-thienyl)ethanethioic O-acid (CAS 79581-72-9) is a chemical compound with molecular formula C6H6OS2 and molecular weight 157.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiophen-2-ylethanethioic S-acid
Also Known As: 2-Thiopheneethanethioic acid, 2-(2-thienyl)ethanethioic O-acid, 2-thiophen-2-ylethanethioic S-acid, 2-(thiophen-2-yl)ethanethioic O-acid
| Molecular Formula | C6H6OS2 |
|---|---|
| Molecular Weight | 157.99 g/mol |
| LogP | 1.747 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.98601 |
| Heavy Atoms | 9 |
| Complexity | 190.8326 |
Chemical Identifiers
| CAS Number | 79581-72-9 |
|---|---|
| SMILES | C1=CSC(=C1)CC(=O)S |
Product Overview
2-(2-thienyl)ethanethioic O-acid (CAS 79581-72-9), with molecular formula C6H6OS2 and molecular weight 157.99 g/mol. IUPAC: 2-thiophen-2-ylethanethioic S-acid.
Chemical Property Profile of 2-(2-thienyl)ethanethioic O-acid
Property Insights of 2-(2-thienyl)ethanethioic O-acid
The XLogP value of 1.747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-thienyl)ethanethioic O-acid. With a topological polar surface area (TPSA) of 17.07 Ų, 2-(2-thienyl)ethanethioic O-acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-thienyl)ethanethioic O-acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-thienyl)ethanethioic O-acid?
The CAS number of 2-(2-thienyl)ethanethioic O-acid is 79581-72-9.
What is the molecular formula of 2-(2-thienyl)ethanethioic O-acid?
The molecular formula of 2-(2-thienyl)ethanethioic O-acid is C6H6OS2.
What is the molecular weight of 2-(2-thienyl)ethanethioic O-acid?
The molecular weight of 2-(2-thienyl)ethanethioic O-acid is 157.99 g/mol.
Where can I buy 2-(2-thienyl)ethanethioic O-acid?
You can request a quote for 2-(2-thienyl)ethanethioic O-acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-thienyl)ethanethioic O-acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-thienyl)ethanethioic O-acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.