3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine
TL;DR: 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine (CAS 1672-33-9) is a chemical compound with molecular formula C4H8N4S2 and molecular weight 176.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-bis(methylsulfanyl)-1,4-dihydro-1,2,4,5-tetrazine
Also Known As: 3,6-Dimethylthio-dihydrotetrazine, 3,6-bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine, NCI60_026368, J2.575.739D, 3,6-Bis(methylthio)-1,2-dihydro-1,2,4,5-tetraazine
| Molecular Formula | C4H8N4S2 |
|---|---|
| Molecular Weight | 176.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.01904 |
| Heavy Atoms | 10 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 1672-33-9 |
|---|---|
| SMILES | CSC1=NNC(=NN1)SC |
| InChIKey | LNYJEPPVBXMFNT-UHFFFAOYSA-N |
Product Overview
3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine (CAS 1672-33-9), with molecular formula C4H8N4S2 and molecular weight 176.02 g/mol. IUPAC: 3,6-bis(methylsulfanyl)-1,4-dihydro-1,2,4,5-tetrazine.
Chemical Property Profile of 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine
Property Insights of 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine. Following Lipinski's Rule of Five, 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine has 2 hydrogen bond donor(s) and 4 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 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine?
The CAS number of 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine is 1672-33-9.
What is the molecular formula of 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine?
The molecular formula of 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine is C4H8N4S2.
What is the molecular weight of 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine?
The molecular weight of 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine is 176.02 g/mol.
Where can I buy 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine?
You can request a quote for 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Bis(methylsulfanyl)-1,2-dihydro-1,2,4,5-tetrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.