2-Chloro-6-(1-methylethyl)benzothiazole
TL;DR: 2-Chloro-6-(1-methylethyl)benzothiazole (CAS 856171-16-9) is a chemical compound with molecular formula C10H10ClNS and molecular weight 211.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-propan-2-yl-1,3-benzothiazole
Also Known As: 2-Chloro-6-(1-methylethyl)benzothiazole, 2-Chloro-6-isopropyl-benzothiazole, 6-Isopropyl-2-chlorobenzothiazole, 1,4-BENZOQUINONE, 2-chloro-6-isopropylbenzo[d]thiazole
| Molecular Formula | C10H10ClNS |
|---|---|
| Molecular Weight | 211.02 g/mol |
| LogP | 4.0731 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.02225 |
| Heavy Atoms | 13 |
| Complexity | 433.41742 |
Chemical Identifiers
| CAS Number | 856171-16-9 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)N=C(S2)Cl |
Product Overview
2-Chloro-6-(1-methylethyl)benzothiazole (CAS 856171-16-9), with molecular formula C10H10ClNS and molecular weight 211.02 g/mol. IUPAC: 2-chloro-6-propan-2-yl-1,3-benzothiazole.
Chemical Property Profile of 2-Chloro-6-(1-methylethyl)benzothiazole
Property Insights of 2-Chloro-6-(1-methylethyl)benzothiazole
The XLogP value of 4.0731 indicates that 2-Chloro-6-(1-methylethyl)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-Chloro-6-(1-methylethyl)benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-(1-methylethyl)benzothiazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-6-(1-methylethyl)benzothiazole?
The CAS number of 2-Chloro-6-(1-methylethyl)benzothiazole is 856171-16-9.
What is the molecular formula of 2-Chloro-6-(1-methylethyl)benzothiazole?
The molecular formula of 2-Chloro-6-(1-methylethyl)benzothiazole is C10H10ClNS.
What is the molecular weight of 2-Chloro-6-(1-methylethyl)benzothiazole?
The molecular weight of 2-Chloro-6-(1-methylethyl)benzothiazole is 211.02 g/mol.
Where can I buy 2-Chloro-6-(1-methylethyl)benzothiazole?
You can request a quote for 2-Chloro-6-(1-methylethyl)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-(1-methylethyl)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-(1-methylethyl)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.