3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide
TL;DR: 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide (CAS 79844-65-8) is a chemical compound with molecular formula C4H6N2OS3 and molecular weight 193.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide
Also Known As: 3,4-bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide, 3,4-bis(methylthio)-1,2,5-thiadiazole 1-oxide, 1,2,5-Thiadiazole, 3,4-bis(methylthio)-, 1-oxide, 3,4-Bis(methylsulfanyl)-1H-1lambda~4~,2,5-thiadiazol-1-one
| Molecular Formula | C4H6N2OS3 |
|---|---|
| Molecular Weight | 193.96 g/mol |
| LogP | 1.1017 |
| Topological Polar Surface Area | 41.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.96423 |
| Heavy Atoms | 10 |
| Complexity | 200.54259 |
Chemical Identifiers
| CAS Number | 79844-65-8 |
|---|---|
| SMILES | CSC1=NS(=O)N=C1SC |
Product Overview
3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide (CAS 79844-65-8), with molecular formula C4H6N2OS3 and molecular weight 193.96 g/mol. IUPAC: 3,4-bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide.
Chemical Property Profile of 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide
Property Insights of 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide
The XLogP value of 1.1017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide. With a topological polar surface area (TPSA) of 41.79 Ų, 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide has 0 hydrogen bond donor(s) and 3 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 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide?
The CAS number of 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide is 79844-65-8.
What is the molecular formula of 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide?
The molecular formula of 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide is C4H6N2OS3.
What is the molecular weight of 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide?
The molecular weight of 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide is 193.96 g/mol.
Where can I buy 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide?
You can request a quote for 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Bis(methylsulfanyl)-1,2,5-thiadiazole 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.