1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide
TL;DR: 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide (CAS 76151-76-3) is a chemical compound with molecular formula C14H9Cl2NS2 and molecular weight 324.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazole
Also Known As: 2-(3,4-Dichlorobenzylthio)benzothiazole, 2-((3,4-Dichlorobenzyl)thio)benzo[d]thiazole, Benzothiazole, 2-[[(3,4-dichlorophenyl)methyl]thio]-, J2.098.521F, 2-[(3,4-dichlorophenyl)methylthio]benzothiazole
| Molecular Formula | C14H9Cl2NS2 |
|---|---|
| Molecular Weight | 324.96 g/mol |
| LogP | 5.8954 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.95535 |
| Heavy Atoms | 19 |
| Complexity | 691.2927 |
Chemical Identifiers
| CAS Number | 76151-76-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide (CAS 76151-76-3), with molecular formula C14H9Cl2NS2 and molecular weight 324.96 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide
Property Insights of 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide
The XLogP value of 5.8954 indicates that 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide 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 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide?
The CAS number of 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide is 76151-76-3.
What is the molecular formula of 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide?
The molecular formula of 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide is C14H9Cl2NS2.
What is the molecular weight of 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide?
The molecular weight of 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide is 324.96 g/mol.
Where can I buy 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide?
You can request a quote for 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzothiazol-2-YL 3,4-dichlorobenzyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.