4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione
TL;DR: 4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione (CAS 30805-37-9) is a chemical compound with molecular formula C5H5Cl6N3S and molecular weight 348.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(trichloromethyl)-1,3,5-triazinane-2-thione
Also Known As: 4,6-bis(trichloromethyl)-1,3,5-triazinane-2-thione, J1.615.061D, TETRAHYDRO-4,6-BIS(TRICHLOROMETHYL)-S-TRIAZINE*, 3,4,5,6-Tetrahydro-4,6-bis(trichloromethyl)-s-triazine-2(1H)-thione
| Molecular Formula | C5H5Cl6N3S |
|---|---|
| Molecular Weight | 348.83 g/mol |
| LogP | 2.4463 |
| Topological Polar Surface Area | 36.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 348.83353 |
| Heavy Atoms | 15 |
| Complexity | 236.47343 |
Chemical Identifiers
| CAS Number | 30805-37-9 |
|---|---|
| SMILES | C1(NC(NC(=S)N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
Product Overview
4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione (CAS 30805-37-9), with molecular formula C5H5Cl6N3S and molecular weight 348.83 g/mol. IUPAC: 4,6-bis(trichloromethyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione
Property Insights of 4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione
The XLogP value of 2.4463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione. With a topological polar surface area (TPSA) of 36.09 Ų, 4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione has 3 hydrogen bond donor(s) and 2 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(trichloromethyl)-1,3,5-triazinane-2-thione?
The CAS number of 4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione is 30805-37-9.
What is the molecular formula of 4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione?
The molecular formula of 4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione is C5H5Cl6N3S.
What is the molecular weight of 4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione?
The molecular weight of 4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione is 348.83 g/mol.
Where can I buy 4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione?
You can request a quote for 4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione 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(trichloromethyl)-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Bis(trichloromethyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.