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Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate
TL;DR: Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate (CAS 790270-68-7) is a chemical compound with molecular formula C9H8N2O3S3 and molecular weight 287.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]furan-2-carboxylate
Also Known As: methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate, methyl 5-{[(5-mercapto-1,3,4-thiadiazol-2-yl)thio]methyl}-2-furoate, methyl 5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]furan-2-carboxylate, 5-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]-2-furancarboxylic acid methyl ester, 5-[[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thio]methyl]furan-2-carboxylic acid methyl ester
| Molecular Formula | C9H8N2O3S3 |
|---|---|
| Molecular Weight | 287.97 g/mol |
| LogP | 2.87259 |
| Topological Polar Surface Area | 68.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.9697 |
| Heavy Atoms | 17 |
| Complexity | 571.8031 |
Chemical Identifiers
| CAS Number | 790270-68-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CSC2=NNC(=S)S2 |
Product Overview
Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate (CAS 790270-68-7), with molecular formula C9H8N2O3S3 and molecular weight 287.97 g/mol. IUPAC: methyl 5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate
Property Insights of Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate
The XLogP value of 2.87259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate. The TPSA of 68.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate. Following Lipinski's Rule of Five, Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate has 1 hydrogen bond donor(s) and 7 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 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate?
The CAS number of Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate is 790270-68-7.
What is the molecular formula of Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate?
The molecular formula of Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate is C9H8N2O3S3.
What is the molecular weight of Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate?
The molecular weight of Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate is 287.97 g/mol.
Where can I buy Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate?
You can request a quote for Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.