2-Thiophenepropanoicacid, a-thioxo-
TL;DR: 2-Thiophenepropanoicacid, a-thioxo- (CAS 90666-72-1) is a chemical compound with molecular formula C7H6O2S2 and molecular weight 185.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-3-thiophen-2-ylpropanoic acid
Also Known As: 2-Thiophenepropanoicacid, a-thioxo-, NCIOpen2_000810, 3-(2-thienyl)-2-thioxopropanoic acid, 3-(thiophen-2-yl)-2-thioxopropanoic acid, 2-sulfanylidene-3-thiophen-2-ylpropanoic acid
| Molecular Formula | C7H6O2S2 |
|---|---|
| Molecular Weight | 185.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.98093 |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 90666-72-1 |
|---|---|
| SMILES | C1=CSC(=C1)CC(=S)C(=O)O |
| InChIKey | WFXIZTRICNJBSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiophenepropanoicacid, a-thioxo- (CAS 90666-72-1), with molecular formula C7H6O2S2 and molecular weight 185.98 g/mol. IUPAC: 2-sulfanylidene-3-thiophen-2-ylpropanoic acid.
Chemical Property Profile of 2-Thiophenepropanoicacid, a-thioxo-
Property Insights of 2-Thiophenepropanoicacid, a-thioxo-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenepropanoicacid, a-thioxo-. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophenepropanoicacid, a-thioxo-. Following Lipinski's Rule of Five, 2-Thiophenepropanoicacid, a-thioxo- has 1 hydrogen bond donor(s) and 4 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-Thiophenepropanoicacid, a-thioxo-?
The CAS number of 2-Thiophenepropanoicacid, a-thioxo- is 90666-72-1.
What is the molecular formula of 2-Thiophenepropanoicacid, a-thioxo-?
The molecular formula of 2-Thiophenepropanoicacid, a-thioxo- is C7H6O2S2.
What is the molecular weight of 2-Thiophenepropanoicacid, a-thioxo-?
The molecular weight of 2-Thiophenepropanoicacid, a-thioxo- is 185.98 g/mol.
Where can I buy 2-Thiophenepropanoicacid, a-thioxo-?
You can request a quote for 2-Thiophenepropanoicacid, a-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenepropanoicacid, a-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenepropanoicacid, a-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.