5-(2-methoxyethyl)-1,3,5-triazinane-2-thione
TL;DR: 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione (CAS 879618-09-4) is a chemical compound with molecular formula C20H23N5O2S and molecular weight 397.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
Also Known As: 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione, N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzothiazol-2-amine, benzothiazol-2-yl{3-[2-(3,4-dimethoxyphenyl)ethyl](1,2-dihydro-4H-1,3,5-triazi n-6-yl)}amine, N-(5-(3,4-dimethoxyphenethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)benzo[d]thiazol-2-amine, N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-5-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
| Molecular Formula | C20H23N5O2S |
|---|---|
| Molecular Weight | 397.16 g/mol |
| LogP | 3.1443 |
| Topological Polar Surface Area | 71.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.15726 |
| Heavy Atoms | 28 |
| Complexity | 954.6414 |
Chemical Identifiers
| CAS Number | 879618-09-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2CNC(=NC2)NC3=NC4=CC=CC=C4S3)OC |
Product Overview
5-(2-methoxyethyl)-1,3,5-triazinane-2-thione (CAS 879618-09-4), with molecular formula C20H23N5O2S and molecular weight 397.16 g/mol. IUPAC: N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine.
Chemical Property Profile of 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione
Property Insights of 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione
The XLogP value of 3.1443 indicates that 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione. Following Lipinski's Rule of Five, 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione has 2 hydrogen bond donor(s) and 8 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 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione?
The CAS number of 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione is 879618-09-4.
What is the molecular formula of 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione?
The molecular formula of 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione is C20H23N5O2S.
What is the molecular weight of 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione?
The molecular weight of 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione is 397.16 g/mol.
Where can I buy 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione?
You can request a quote for 5-(2-methoxyethyl)-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 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-methoxyethyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.