s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)-
TL;DR: s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)- (CAS 24481-69-4) is a chemical compound with molecular formula C9H9Cl6N3S and molecular weight 400.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropylsulfanyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
Also Known As: 2-[thio]-4,6-bis -1,3,5-triazine, 2-[ thio]-4,6-bis -1,3,5-triazine, s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)-, 1,3,5-Triazine, 2-[(2-methylpropyl)thio]-4,6-bis(trichloromethyl)-, 2-ISOBUTYLTHIO-4,6-BIS(TRICHLOROMETHYL)-S-TRIAZ*
| Molecular Formula | C9H9Cl6N3S |
|---|---|
| Molecular Weight | 400.86 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.86188 |
| Heavy Atoms | 19 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 24481-69-4 |
|---|---|
| SMILES | CC(C)CSC1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | XSXWFPQQFWOWLI-UHFFFAOYSA-N |
Product Overview
s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)- (CAS 24481-69-4), with molecular formula C9H9Cl6N3S and molecular weight 400.86 g/mol. IUPAC: 2-(2-methylpropylsulfanyl)-4,6-bis(trichloromethyl)-1,3,5-triazine.
Chemical Property Profile of s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)-
Property Insights of s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)-
The XLogP value of 5.5 indicates that s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)-. Following Lipinski's Rule of Five, s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)-?
The CAS number of s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)- is 24481-69-4.
What is the molecular formula of s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)-?
The molecular formula of s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)- is C9H9Cl6N3S.
What is the molecular weight of s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)-?
The molecular weight of s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)- is 400.86 g/mol.
Where can I buy s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)-?
You can request a quote for s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.