2-(2,2-Dichloroethenyl)-1,3-benzothiazole
TL;DR: 2-(2,2-Dichloroethenyl)-1,3-benzothiazole (CAS 81694-07-7) is a chemical compound with molecular formula C9H5Cl2NS and molecular weight 228.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dichloroethenyl)-1,3-benzothiazole
Also Known As: 2-(2,2-dichloroethenyl)-1,3-benzothiazole, IFLab1_000904, 2-(2,2-dichlorovinyl)-1,3-benzothiazole, 2-(, A,
| Molecular Formula | C9H5Cl2NS |
|---|---|
| Molecular Weight | 228.95 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.95198 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 81694-07-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C=C(Cl)Cl |
| InChIKey | JZLMQOVEVLRRFX-UHFFFAOYSA-N |
Product Overview
2-(2,2-Dichloroethenyl)-1,3-benzothiazole (CAS 81694-07-7), with molecular formula C9H5Cl2NS and molecular weight 228.95 g/mol. IUPAC: 2-(2,2-dichloroethenyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(2,2-Dichloroethenyl)-1,3-benzothiazole
Property Insights of 2-(2,2-Dichloroethenyl)-1,3-benzothiazole
The XLogP value of 4.5 indicates that 2-(2,2-Dichloroethenyl)-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-(2,2-Dichloroethenyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2-Dichloroethenyl)-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-(2,2-Dichloroethenyl)-1,3-benzothiazole?
The CAS number of 2-(2,2-Dichloroethenyl)-1,3-benzothiazole is 81694-07-7.
What is the molecular formula of 2-(2,2-Dichloroethenyl)-1,3-benzothiazole?
The molecular formula of 2-(2,2-Dichloroethenyl)-1,3-benzothiazole is C9H5Cl2NS.
What is the molecular weight of 2-(2,2-Dichloroethenyl)-1,3-benzothiazole?
The molecular weight of 2-(2,2-Dichloroethenyl)-1,3-benzothiazole is 228.95 g/mol.
Where can I buy 2-(2,2-Dichloroethenyl)-1,3-benzothiazole?
You can request a quote for 2-(2,2-Dichloroethenyl)-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-(2,2-Dichloroethenyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dichloroethenyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.