![2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid structure](/static/products/900/900641-77-2.png)
2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid
TL;DR: 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid (CAS 900641-77-2) is a chemical compound with molecular formula C11H11NO2S2 and molecular weight 253.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoic acid
Also Known As: 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid, 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoic Acid, 2-{[(4,5-Dihydro-1,3-thiazol-2-yl)sulfanyl]methyl}benzoic acid
| Molecular Formula | C11H11NO2S2 |
|---|---|
| Molecular Weight | 253.02 g/mol |
| LogP | 2.7208 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.02312 |
| Heavy Atoms | 16 |
| Complexity | 431.74768 |
Chemical Identifiers
| CAS Number | 900641-77-2 |
|---|---|
| SMILES | C1CSC(=N1)SCC2=CC=CC=C2C(=O)O |
Product Overview
2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid (CAS 900641-77-2), with molecular formula C11H11NO2S2 and molecular weight 253.02 g/mol. IUPAC: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoic acid.
Chemical Property Profile of 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid
Property Insights of 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid
The XLogP value of 2.7208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid. With a topological polar surface area (TPSA) of 49.66 Ų, 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic 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 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid?
The CAS number of 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid is 900641-77-2.
What is the molecular formula of 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid?
The molecular formula of 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid is C11H11NO2S2.
What is the molecular weight of 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid?
The molecular weight of 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid is 253.02 g/mol.
Where can I buy 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid?
You can request a quote for 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(4,5-Dihydro-2-thiazolyl)thio]methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.