3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid
TL;DR: 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid (CAS 175202-14-9) is a chemical compound with molecular formula C9H11IO4S3 and molecular weight 405.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodo-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylic acid
Also Known As: Maybridge4_002392, 3-iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid, 3-iodo-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylic acid, BRD-K40389401-001-01-7, 2-Thiophenecarboxylic acid, 3-iodo-4-[(1-methylethyl)sulfonyl]-5-(methylthio)-
| Molecular Formula | C9H11IO4S3 |
|---|---|
| Molecular Weight | 405.89 g/mol |
| LogP | 2.9549 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.8864 |
| Heavy Atoms | 17 |
| Complexity | 544.83234 |
Chemical Identifiers
| CAS Number | 175202-14-9 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=C(SC(=C1I)C(=O)O)SC |
Product Overview
3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid (CAS 175202-14-9), with molecular formula C9H11IO4S3 and molecular weight 405.89 g/mol. IUPAC: 3-iodo-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylic acid.
Chemical Property Profile of 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid
Property Insights of 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid
The XLogP value of 2.9549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid has 1 hydrogen bond donor(s) and 5 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 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid?
The CAS number of 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid is 175202-14-9.
What is the molecular formula of 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid?
The molecular formula of 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid is C9H11IO4S3.
What is the molecular weight of 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid?
The molecular weight of 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid is 405.89 g/mol.
Where can I buy 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid?
You can request a quote for 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.