Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate
TL;DR: Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate (CAS 71466-79-0) is a chemical compound with molecular formula C5H7N3O2S2 and molecular weight 205.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate
Also Known As: methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate, methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxyl, Methyl 3-imino-5-(methylsulfanyl)-1,2,4-thiadiazole-2(3H)-carboxylate
| Molecular Formula | C5H7N3O2S2 |
|---|---|
| Molecular Weight | 205.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.99797 |
| Heavy Atoms | 12 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 71466-79-0 |
|---|---|
| SMILES | COC(=O)N1C(=N)N=C(S1)SC |
| InChIKey | MNXUQBQUGXKCPW-UHFFFAOYSA-N |
Product Overview
Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate (CAS 71466-79-0), with molecular formula C5H7N3O2S2 and molecular weight 205.00 g/mol. IUPAC: methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate.
Chemical Property Profile of Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate
Property Insights of Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate has 1 hydrogen bond donor(s) and 5 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 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate?
The CAS number of Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate is 71466-79-0.
What is the molecular formula of Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate?
The molecular formula of Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate is C5H7N3O2S2.
What is the molecular weight of Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate?
The molecular weight of Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate is 205.00 g/mol.
Where can I buy Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate?
You can request a quote for Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-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 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-imino-5-methylsulfanyl-1,2,4-thiadiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.