4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide
TL;DR: 4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide (CAS 860787-90-2) is a chemical compound with molecular formula C12H12ClN3S and molecular weight 265.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethyl-1,2,4-triazine
Also Known As: 1L-381S, 4-chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide, 3-{[(4-chlorophenyl)methyl]sulfanyl}-5,6-dimethyl-1,2,4-triazine, 3-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethyl-1,2,4-triazine
| Molecular Formula | C12H12ClN3S |
|---|---|
| Molecular Weight | 265.04 g/mol |
| LogP | 3.43414 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.04404 |
| Heavy Atoms | 17 |
| Complexity | 513.65924 |
Chemical Identifiers
| CAS Number | 860787-90-2 |
|---|---|
| SMILES | CC1=C(N=NC(=N1)SCC2=CC=C(C=C2)Cl)C |
Product Overview
4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide (CAS 860787-90-2), with molecular formula C12H12ClN3S and molecular weight 265.04 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethyl-1,2,4-triazine.
Chemical Property Profile of 4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide
Property Insights of 4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide
The XLogP value of 3.43414 indicates that 4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, 4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide has 0 hydrogen bond donor(s) and 4 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-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide?
The CAS number of 4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide is 860787-90-2.
What is the molecular formula of 4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide?
The molecular formula of 4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide is C12H12ClN3S.
What is the molecular weight of 4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide?
The molecular weight of 4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide is 265.04 g/mol.
Where can I buy 4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide?
You can request a quote for 4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl 5,6-dimethyl-1,2,4-triazin-3-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.