2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole
TL;DR: 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole (CAS 7133-50-8) is a chemical compound with molecular formula C16H12N2S4 and molecular weight 359.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-benzothiazole
Also Known As: 1,2-di(2-benzothiazolylthio)ethane, 1,2-Bis(benzothiazole-2-ylthio)ethane, 1,2-bis(benzo[d]thiazol-2-ylthio)ethane, 1,2-bis(benzothiazol-2-ylsulfanyl)ethane, 2,2 -(Ethylenebisthio)bisbenzothiazole
| Molecular Formula | C16H12N2S4 |
|---|---|
| Molecular Weight | 359.99 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.98834 |
| Heavy Atoms | 22 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 7133-50-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCCSC3=NC4=CC=CC=C4S3 |
| InChIKey | SLNISRYXTNUMTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole (CAS 7133-50-8), with molecular formula C16H12N2S4 and molecular weight 359.99 g/mol. IUPAC: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole
Property Insights of 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole
The XLogP value of 6.2 indicates that 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole?
The CAS number of 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole is 7133-50-8.
What is the molecular formula of 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole?
The molecular formula of 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole is C16H12N2S4.
What is the molecular weight of 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole?
The molecular weight of 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole is 359.99 g/mol.
Where can I buy 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole?
You can request a quote for 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.