Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2)
TL;DR: Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2) (CAS 58474-16-1) is a chemical compound with molecular formula C24H30Br2N2S2 and molecular weight 568.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[10-(1,3-benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-ium dibromide
Also Known As: 3,3'- bis dibromide, Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, dibromide, 1,1-bis(4-di-p-tolylaminophenyl)cyclohexane, 3,3'-(Decane-1,10-diyl)bis(benzothiazolium) dibromide, Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2)
| Molecular Formula | C24H30Br2N2S2 |
|---|---|
| Molecular Weight | 568.02 g/mol |
| LogP | 0.52 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 570.01965 |
| Heavy Atoms | 30 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 58474-16-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)[N+](=CS2)CCCCCCCCCC[N+]3=CSC4=CC=CC=C43.[Br-].[Br-] |
| InChIKey | JIZYPFRCBQPFGJ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2) (CAS 58474-16-1), with molecular formula C24H30Br2N2S2 and molecular weight 568.02 g/mol. IUPAC: 3-[10-(1,3-benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-ium dibromide.
Chemical Property Profile of Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2)
Property Insights of Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2)
The XLogP value of 0.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2). The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2). Following Lipinski's Rule of Five, Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2)?
The CAS number of Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2) is 58474-16-1.
What is the molecular formula of Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2)?
The molecular formula of Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2) is C24H30Br2N2S2.
What is the molecular weight of Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2)?
The molecular weight of Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2) is 568.02 g/mol.
Where can I buy Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2)?
You can request a quote for Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3,3'-(1,10-decanediyl)bis-, bromide (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.