![Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl- structure](/static/products/5886/588678-73-3.webp)
Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl-
TL;DR: Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl- (CAS 588678-73-3) is a chemical compound with molecular formula C13H11FN2O2S2 and molecular weight 310.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-fluorophenyl)carbamothioylamino]-5-methylthiophene-3-carboxylic acid
Also Known As: Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl-, 2-(3-(3-fluorophenyl)thioureido)-5-methylthiophene-3-carboxylic acid, 2-[(3-fluorophenyl)carbamothioylamino]-5-methylthiophene-3-carboxylic acid, 2-({[(3-fluorophenyl)amino]thioxomethyl}amino)-5-methylthiophene-3-carboxylic acid, 2-{[(3-fluorophenyl)carbamothioyl]amino}-5-methylthiophene-3-carboxylic acid
| Molecular Formula | C13H11FN2O2S2 |
|---|---|
| Molecular Weight | 310.02 g/mol |
| LogP | 3.70272 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.0246 |
| Heavy Atoms | 20 |
| Complexity | 670.1408 |
Chemical Identifiers
| CAS Number | 588678-73-3 |
|---|---|
| SMILES | CC1=CC(=C(S1)NC(=S)NC2=CC(=CC=C2)F)C(=O)O |
Product Overview
Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl- (CAS 588678-73-3), with molecular formula C13H11FN2O2S2 and molecular weight 310.02 g/mol. IUPAC: 2-[(3-fluorophenyl)carbamothioylamino]-5-methylthiophene-3-carboxylic acid.
Chemical Property Profile of Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl-
Property Insights of Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl-
The XLogP value of 3.70272 indicates that Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl-. Following Lipinski's Rule of Five, Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl- has 3 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 Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl-?
The CAS number of Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl- is 588678-73-3.
What is the molecular formula of Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl-?
The molecular formula of Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl- is C13H11FN2O2S2.
What is the molecular weight of Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl-?
The molecular weight of Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl- is 310.02 g/mol.
Where can I buy Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl-?
You can request a quote for Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Thiophene-3-carboxylic acid, 2-[3-(3-fluorophenyl)isothioureido]-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.