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Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
TL;DR: Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (CAS 62770-08-5) is a chemical compound with molecular formula C5H6N2O2S3 and molecular weight 221.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetate
Also Known As: methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate, methyl 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetate, methyl 2-(5-sulfanyl-1,3,4-thiadiazol-2-ylthio)acetate, methyl [(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate, methyl2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
| Molecular Formula | C5H6N2O2S3 |
|---|---|
| Molecular Weight | 221.96 g/mol |
| LogP | 1.46579 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.95914 |
| Heavy Atoms | 12 |
| Complexity | 318.4933 |
Chemical Identifiers
| CAS Number | 62770-08-5 |
|---|---|
| SMILES | COC(=O)CSC1=NNC(=S)S1 |
Product Overview
Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (CAS 62770-08-5), with molecular formula C5H6N2O2S3 and molecular weight 221.96 g/mol. IUPAC: methyl 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
Property Insights of Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
The XLogP value of 1.46579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate. With a topological polar surface area (TPSA) of 54.98 Ų, Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate has 1 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 Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The CAS number of Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is 62770-08-5.
What is the molecular formula of Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The molecular formula of Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is C5H6N2O2S3.
What is the molecular weight of Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The molecular weight of Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is 221.96 g/mol.
Where can I buy Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
You can request a quote for Methyl 2-[(5-sulfanyl-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 Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.