2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione
TL;DR: 2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione (CAS 85202-79-5) is a chemical compound with molecular formula C10H14N4S and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione
Also Known As: 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione
| Molecular Formula | C10H14N4S |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.09392 |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 85202-79-5 |
|---|---|
| SMILES | CN1C(=S)N(NC(N1)C2=CC=CC=C2)C |
| InChIKey | URMCRFSJUORCPR-UHFFFAOYSA-N |
Product Overview
2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione (CAS 85202-79-5), with molecular formula C10H14N4S and molecular weight 222.09 g/mol. IUPAC: 2,4-dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione.
Chemical Property Profile of 2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione
Property Insights of 2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione. Following Lipinski's Rule of Five, 2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione has 2 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 2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione?
The CAS number of 2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione is 85202-79-5.
What is the molecular formula of 2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione?
The molecular formula of 2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione is C10H14N4S.
What is the molecular weight of 2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione?
The molecular weight of 2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione is 222.09 g/mol.
Where can I buy 2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione?
You can request a quote for 2,4-Dimethyl-6-phenyl-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 2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-6-phenyl-1,2,4,5-tetrazinane-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.