6-methyl-1,2,4,5-tetrazinane-3-thione
TL;DR: 6-methyl-1,2,4,5-tetrazinane-3-thione (CAS 89093-72-1) is a chemical compound with molecular formula C3H8N4S and molecular weight 132.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-1,2,4,5-tetrazinane-3-thione
Also Known As: 6-methyl-1,2,4,5-tetrazinane-3-thione, 6-methyl-1,2,4,5-tetraazaperhydroine-3-thione, 1,2,4,5-Tetrazine-3(2H)-thione, tetrahydro-6-methyl- (9CI), RefChem:381782
| Molecular Formula | C3H8N4S |
|---|---|
| Molecular Weight | 132.05 g/mol |
| LogP | -1.1807 |
| Topological Polar Surface Area | 48.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.04697 |
| Heavy Atoms | 8 |
| Complexity | 93.45654 |
Chemical Identifiers
| CAS Number | 89093-72-1 |
|---|---|
| SMILES | CC1NNC(=S)NN1 |
Product Overview
6-methyl-1,2,4,5-tetrazinane-3-thione (CAS 89093-72-1), with molecular formula C3H8N4S and molecular weight 132.05 g/mol. IUPAC: 6-methyl-1,2,4,5-tetrazinane-3-thione.
Chemical Property Profile of 6-methyl-1,2,4,5-tetrazinane-3-thione
Property Insights of 6-methyl-1,2,4,5-tetrazinane-3-thione
The XLogP value of -1.1807 indicates that 6-methyl-1,2,4,5-tetrazinane-3-thione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 48.12 Ų, 6-methyl-1,2,4,5-tetrazinane-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methyl-1,2,4,5-tetrazinane-3-thione has 4 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 6-methyl-1,2,4,5-tetrazinane-3-thione?
The CAS number of 6-methyl-1,2,4,5-tetrazinane-3-thione is 89093-72-1.
What is the molecular formula of 6-methyl-1,2,4,5-tetrazinane-3-thione?
The molecular formula of 6-methyl-1,2,4,5-tetrazinane-3-thione is C3H8N4S.
What is the molecular weight of 6-methyl-1,2,4,5-tetrazinane-3-thione?
The molecular weight of 6-methyl-1,2,4,5-tetrazinane-3-thione is 132.05 g/mol.
Where can I buy 6-methyl-1,2,4,5-tetrazinane-3-thione?
You can request a quote for 6-methyl-1,2,4,5-tetrazinane-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-1,2,4,5-tetrazinane-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-1,2,4,5-tetrazinane-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.