(Thien-3-ylsulfonyl)acetic acid
TL;DR: (Thien-3-ylsulfonyl)acetic acid (CAS 98198-41-5) is a chemical compound with molecular formula C6H6O4S2 and molecular weight 205.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiophen-3-ylsulfonylacetic acid
Also Known As: (thien-3-ylsulfonyl)acetic acid, 2-(3-thienylsulfonyl)acetic acid, 2-thiophen-3-ylsulfonylacetic acid, 2-(THIOPHEN-3-YLSULFONYL)ACETIC ACID, AI-942/25121084
| Molecular Formula | C6H6O4S2 |
|---|---|
| Molecular Weight | 205.97 g/mol |
| LogP | 0.6064 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.97075 |
| Heavy Atoms | 12 |
| Complexity | 362.26218 |
Chemical Identifiers
| CAS Number | 98198-41-5 |
|---|---|
| SMILES | C1=CSC=C1S(=O)(=O)CC(=O)O |
Product Overview
(Thien-3-ylsulfonyl)acetic acid (CAS 98198-41-5), with molecular formula C6H6O4S2 and molecular weight 205.97 g/mol. IUPAC: 2-thiophen-3-ylsulfonylacetic acid.
Chemical Property Profile of (Thien-3-ylsulfonyl)acetic acid
Property Insights of (Thien-3-ylsulfonyl)acetic acid
The XLogP value of 0.6064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Thien-3-ylsulfonyl)acetic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (Thien-3-ylsulfonyl)acetic acid. Following Lipinski's Rule of Five, (Thien-3-ylsulfonyl)acetic acid 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 (Thien-3-ylsulfonyl)acetic acid?
The CAS number of (Thien-3-ylsulfonyl)acetic acid is 98198-41-5.
What is the molecular formula of (Thien-3-ylsulfonyl)acetic acid?
The molecular formula of (Thien-3-ylsulfonyl)acetic acid is C6H6O4S2.
What is the molecular weight of (Thien-3-ylsulfonyl)acetic acid?
The molecular weight of (Thien-3-ylsulfonyl)acetic acid is 205.97 g/mol.
Where can I buy (Thien-3-ylsulfonyl)acetic acid?
You can request a quote for (Thien-3-ylsulfonyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Thien-3-ylsulfonyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (Thien-3-ylsulfonyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.