4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol
TL;DR: 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol (CAS 1011-91-2) is a chemical compound with molecular formula C7H13N5S and molecular weight 199.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione
Also Known As: S-demethyl-simetryn, 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol, bis(ethylamino)-1,3,5-triazine-2-thiol, 2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione, J2.051.552J
| Molecular Formula | C7H13N5S |
|---|---|
| Molecular Weight | 199.09 g/mol |
| LogP | 1.39779 |
| Topological Polar Surface Area | 65.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.08917 |
| Heavy Atoms | 13 |
| Complexity | 293.65408 |
Chemical Identifiers
| CAS Number | 1011-91-2 |
|---|---|
| SMILES | CCNC1=NC(=S)N=C(N1)NCC |
Product Overview
4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol (CAS 1011-91-2), with molecular formula C7H13N5S and molecular weight 199.09 g/mol. IUPAC: 2,6-bis(ethylamino)-1H-1,3,5-triazine-4-thione.
Chemical Property Profile of 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol
Property Insights of 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol
The XLogP value of 1.39779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol. The TPSA of 65.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol. Following Lipinski's Rule of Five, 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol has 3 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 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol?
The CAS number of 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol is 1011-91-2.
What is the molecular formula of 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol?
The molecular formula of 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol is C7H13N5S.
What is the molecular weight of 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol?
The molecular weight of 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol is 199.09 g/mol.
Where can I buy 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol?
You can request a quote for 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Bis(ethylamino)-1,3,5-triazine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.