![2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid structure](/static/products/4000/400082-02-2.webp)
2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid
TL;DR: 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid (CAS 400082-02-2) is a chemical compound with molecular formula C10H8N2O2S2 and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylthiadiazol-5-yl)sulfanylbenzoic acid
Also Known As: 2-(4-methylthiadiazol-5-yl)sulfanylbenzoic Acid, 2-[(4-methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid, 2-[(4-methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzoic acid, 2-((4-methyl-1,2,3-thiadiazol-5-yl)thio)benzoic acid, 2-[(4-methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzoicacid
| Molecular Formula | C10H8N2O2S2 |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 2.69592 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.00272 |
| Heavy Atoms | 16 |
| Complexity | 525.0425 |
Chemical Identifiers
| CAS Number | 400082-02-2 |
|---|---|
| SMILES | CC1=C(SN=N1)SC2=CC=CC=C2C(=O)O |
Product Overview
2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid (CAS 400082-02-2), with molecular formula C10H8N2O2S2 and molecular weight 252.00 g/mol. IUPAC: 2-(4-methylthiadiazol-5-yl)sulfanylbenzoic acid.
Chemical Property Profile of 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid
Property Insights of 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid
The XLogP value of 2.69592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid. Following Lipinski's Rule of Five, 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic 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 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid?
The CAS number of 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid is 400082-02-2.
What is the molecular formula of 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid?
The molecular formula of 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid is C10H8N2O2S2.
What is the molecular weight of 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid?
The molecular weight of 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid is 252.00 g/mol.
Where can I buy 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid?
You can request a quote for 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methyl-1,2,3-thiadiazol-5-yl)sulfanyl]benzenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.