2-(Trichloromethyl)-1,3-benzothiazole
TL;DR: 2-(Trichloromethyl)-1,3-benzothiazole (CAS 6764-27-8) is a chemical compound with molecular formula C8H4Cl3NS and molecular weight 250.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trichloromethyl)-1,3-benzothiazole
Also Known As: 2-(trichloromethyl)-1,3-benzothiazole, 2-trichloromethyl-benzothiazole, Benzothiazole, 2-(trichloromethyl)-, RefChem:254851
| Molecular Formula | C8H4Cl3NS |
|---|---|
| Molecular Weight | 250.91 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.91301 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 6764-27-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(Cl)(Cl)Cl |
| InChIKey | XTLZHTFFJWSDDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trichloromethyl)-1,3-benzothiazole (CAS 6764-27-8), with molecular formula C8H4Cl3NS and molecular weight 250.91 g/mol. IUPAC: 2-(trichloromethyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(Trichloromethyl)-1,3-benzothiazole
Property Insights of 2-(Trichloromethyl)-1,3-benzothiazole
The XLogP value of 4.3 indicates that 2-(Trichloromethyl)-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, 2-(Trichloromethyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trichloromethyl)-1,3-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-(Trichloromethyl)-1,3-benzothiazole?
The CAS number of 2-(Trichloromethyl)-1,3-benzothiazole is 6764-27-8.
What is the molecular formula of 2-(Trichloromethyl)-1,3-benzothiazole?
The molecular formula of 2-(Trichloromethyl)-1,3-benzothiazole is C8H4Cl3NS.
What is the molecular weight of 2-(Trichloromethyl)-1,3-benzothiazole?
The molecular weight of 2-(Trichloromethyl)-1,3-benzothiazole is 250.91 g/mol.
Where can I buy 2-(Trichloromethyl)-1,3-benzothiazole?
You can request a quote for 2-(Trichloromethyl)-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-(Trichloromethyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trichloromethyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.