![2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate structure](/static/products/681/68161-40-0.png)
2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
TL;DR: 2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate (CAS 68161-40-0) is a chemical compound with molecular formula C11H10N3O3S2- and molecular weight 296.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate, ({5-[(3-METHOXYPHENYL)AMINO]-1,3,4-THIADIAZOL-2-YL}THIO)ACETICACID
| Molecular Formula | C11H10N3O3S2- |
|---|---|
| Molecular Weight | 296.02 g/mol |
| LogP | 1.1323 |
| Topological Polar Surface Area | 87.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.01636 |
| Heavy Atoms | 19 |
| Complexity | 573.818 |
Chemical Identifiers
| CAS Number | 68161-40-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC2=NN=C(S2)SCC(=O)[O-] |
Product Overview
2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate (CAS 68161-40-0), with molecular formula C11H10N3O3S2- and molecular weight 296.02 g/mol. IUPAC: 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of 2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Property Insights of 2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
The XLogP value of 1.1323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate. The TPSA of 87.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate. Following Lipinski's Rule of Five, 2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate has 1 hydrogen bond donor(s) and 8 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-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
The CAS number of 2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate is 68161-40-0.
What is the molecular formula of 2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
The molecular formula of 2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate is C11H10N3O3S2-.
What is the molecular weight of 2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
The molecular weight of 2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate is 296.02 g/mol.
Where can I buy 2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
You can request a quote for 2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(3-Methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.