Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate
TL;DR: Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate (CAS 864918-30-9) is a chemical compound with molecular formula C18H16N2O2S2 and molecular weight 356.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetate
Also Known As: ChemDiv3_012161, F0698-0256, benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate, benzyl 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetate, benzyl 2-{[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetate
| Molecular Formula | C18H16N2O2S2 |
|---|---|
| Molecular Weight | 356.07 g/mol |
| LogP | 4.34902 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.0653 |
| Heavy Atoms | 24 |
| Complexity | 818.6508 |
Chemical Identifiers
| CAS Number | 864918-30-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NSC(=N2)SCC(=O)OCC3=CC=CC=C3 |
Product Overview
Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate (CAS 864918-30-9), with molecular formula C18H16N2O2S2 and molecular weight 356.07 g/mol. IUPAC: benzyl 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetate.
Chemical Property Profile of Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate
Property Insights of Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate
The XLogP value of 4.34902 indicates that Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate has 0 hydrogen bond donor(s) and 6 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 Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate?
The CAS number of Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate is 864918-30-9.
What is the molecular formula of Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate?
The molecular formula of Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate is C18H16N2O2S2.
What is the molecular weight of Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate?
The molecular weight of Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate is 356.07 g/mol.
Where can I buy Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate?
You can request a quote for Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.