噻吩-3-乙酸
TL;DR: 噻吩-3-乙酸 (CAS 6964-21-2) is a chemical compound with molecular formula C6H6O2S and molecular weight 142.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
噻吩-3-乙酸
2-thiophen-3-ylacetic acid
Also Known As: 3-Thiopheneacetic acid, 3-Thienylacetic acid, 2-(thiophen-3-yl)acetic acid, THIOPHENE-3-ACETIC ACID, 3-thiophenacetic acid
| Molecular Formula | C6H6O2S |
|---|---|
| Molecular Weight | 142.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.00885 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 6964-21-2 |
|---|---|
| SMILES | C1=CSC=C1CC(=O)O |
| InChIKey | RCNOGGGBSSVMAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
噻吩-3-乙酸 (CAS 6964-21-2), with molecular formula C6H6O2S and molecular weight 142.01 g/mol. IUPAC: 2-thiophen-3-ylacetic acid.
Chemical Property Profile of 噻吩-3-乙酸
Property Insights of 噻吩-3-乙酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 噻吩-3-乙酸. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 噻吩-3-乙酸. Following Lipinski's Rule of Five, 噻吩-3-乙酸 has 1 hydrogen bond donor(s) and 3 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 噻吩-3-乙酸?
The CAS number of 噻吩-3-乙酸 is 6964-21-2.
What is the molecular formula of 噻吩-3-乙酸?
The molecular formula of 噻吩-3-乙酸 is C6H6O2S.
What is the molecular weight of 噻吩-3-乙酸?
The molecular weight of 噻吩-3-乙酸 is 142.01 g/mol.
Where can I buy 噻吩-3-乙酸?
You can request a quote for 噻吩-3-乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 噻吩-3-乙酸?
Yes, KEHONG BIO provides custom synthesis services for 噻吩-3-乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.