6-Butyl-2-chloro-1,3-benzothiazole
TL;DR: 6-Butyl-2-chloro-1,3-benzothiazole (CAS 156246-16-1) is a chemical compound with molecular formula C11H12ClNS and molecular weight 225.0379 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-butyl-2-chloro-1,3-benzothiazole
Also Known As: 6-butyl-2-chloro-1,3-benzothiazole, 6-butyl-2-chlorobenzo[d]thiazole, Benzothiazole, 6-butyl-2-chloro-, F1910-0013, L-4051
Technical Specifications
| Molecular Formula | C11H12ClNS |
| Molecular Weight | 225.0379 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.0379 Da |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
| SMILES | CCCCC1=CC2=C(C=C1)N=C(S2)Cl |
| InChIKey | SSUPEVCQYJQGQC-UHFFFAOYSA-N |
Chemical Property Profile of 6-Butyl-2-chloro-1,3-benzothiazole
Property Insights of 6-Butyl-2-chloro-1,3-benzothiazole
The XLogP value of 5.2 indicates that 6-Butyl-2-chloro-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 6-Butyl-2-chloro-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Butyl-2-chloro-1,3-benzothiazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-Butyl-2-chloro-1,3-benzothiazole?
The CAS number of 6-Butyl-2-chloro-1,3-benzothiazole is 156246-16-1.
What is the molecular formula of 6-Butyl-2-chloro-1,3-benzothiazole?
The molecular formula of 6-Butyl-2-chloro-1,3-benzothiazole is C11H12ClNS.
What is the molecular weight of 6-Butyl-2-chloro-1,3-benzothiazole?
The molecular weight of 6-Butyl-2-chloro-1,3-benzothiazole is 225.0379 g/mol.
Where can I buy 6-Butyl-2-chloro-1,3-benzothiazole?
You can request a quote for 6-Butyl-2-chloro-1,3-benzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Butyl-2-chloro-1,3-benzothiazole?
Yes, CoreyChem provides custom synthesis services for 6-Butyl-2-chloro-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.