O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate
TL;DR: O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate (CAS 5097-58-5) is a chemical compound with molecular formula C5H4Cl2N4OS and molecular weight 237.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate
Also Known As: O-METHYL 4,6-DICHLOROTHIO-S-TRIAZINE-2-CARBAMATE, O-methyl (4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate, O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate
| Molecular Formula | C5H4Cl2N4OS |
|---|---|
| Molecular Weight | 237.95 g/mol |
| LogP | 1.5216 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.94829 |
| Heavy Atoms | 13 |
| Complexity | 314.06046 |
Chemical Identifiers
| CAS Number | 5097-58-5 |
|---|---|
| SMILES | COC(=S)NC1=NC(=NC(=N1)Cl)Cl |
Product Overview
O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate (CAS 5097-58-5), with molecular formula C5H4Cl2N4OS and molecular weight 237.95 g/mol. IUPAC: O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate.
Chemical Property Profile of O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate
Property Insights of O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate
The XLogP value of 1.5216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate. With a topological polar surface area (TPSA) of 59.93 Ų, O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate has 1 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 O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate?
The CAS number of O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate is 5097-58-5.
What is the molecular formula of O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate?
The molecular formula of O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate is C5H4Cl2N4OS.
What is the molecular weight of O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate?
The molecular weight of O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate is 237.95 g/mol.
Where can I buy O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate?
You can request a quote for O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.