2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)-
TL;DR: 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)- (CAS 105254-85-1) is a chemical compound with molecular formula C24H40N2S2 and molecular weight 420.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione
Also Known As: 4-pentyl-benzylamine,hydrochloride, 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)-, TK 11556, 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione, 2(3H)-Benzothiazolethione, 3-[[bis(2-ethylhexyl)amino]methyl]-
| Molecular Formula | C24H40N2S2 |
|---|---|
| Molecular Weight | 420.26 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 420.2633 |
| Heavy Atoms | 28 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 105254-85-1 |
|---|---|
| SMILES | CCCCC(CC)CN(CC(CC)CCCC)CN1C2=CC=CC=C2SC1=S |
| InChIKey | RDGUHQJBFKFPRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)- (CAS 105254-85-1), with molecular formula C24H40N2S2 and molecular weight 420.26 g/mol. IUPAC: 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione.
Chemical Property Profile of 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)-
Property Insights of 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)-
The XLogP value of 8.9 indicates that 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)-. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)- 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 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)-?
The CAS number of 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)- is 105254-85-1.
What is the molecular formula of 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)-?
The molecular formula of 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)- is C24H40N2S2.
What is the molecular weight of 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)-?
The molecular weight of 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)- is 420.26 g/mol.
Where can I buy 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)-?
You can request a quote for 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.