(3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione
TL;DR: (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione (CAS 57381-74-5) is a chemical compound with molecular formula C18H27Cl2N3S and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione
Also Known As: (3,5-dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione, (3,5-dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)metha, (3,5-Dibutyl-[1,3,5]triazinan-1-yl)-(2,6-dichloro-phenyl)-methanethione, (3,5-Dibutyl-1,3,5-triazinan-1-yl)(2,6-dichlorophenyl)methanethione
| Molecular Formula | C18H27Cl2N3S |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.13028 |
| Heavy Atoms | 24 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 57381-74-5 |
|---|---|
| SMILES | CCCCN1CN(CN(C1)C(=S)C2=C(C=CC=C2Cl)Cl)CCCC |
| InChIKey | LIZHGPSMNOBTAT-UHFFFAOYSA-N |
Product Overview
(3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione (CAS 57381-74-5), with molecular formula C18H27Cl2N3S and molecular weight 387.13 g/mol. IUPAC: (3,5-dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione.
Chemical Property Profile of (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione
Property Insights of (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione
The XLogP value of 5.9 indicates that (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.8 Ų, (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione?
The CAS number of (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione is 57381-74-5.
What is the molecular formula of (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione?
The molecular formula of (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione is C18H27Cl2N3S.
What is the molecular weight of (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione?
The molecular weight of (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione is 387.13 g/mol.
Where can I buy (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione?
You can request a quote for (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dibutyl-1,3,5-triazinan-1-yl)-(2,6-dichlorophenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.