2,1,3-Benzothiadiazole, 4,5,7-trichloro-
TL;DR: 2,1,3-Benzothiadiazole, 4,5,7-trichloro- (CAS 1982-55-4) is a chemical compound with molecular formula C6HCl3N2S and molecular weight 237.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,7-trichloro-2,1,3-benzothiadiazole
Also Known As: Chlothizole, TCBT, 4,5,7-TRICHLORO-2,1,3-BENZOTHIADIAZOLE, C6HCl3N2S, TH 052
| Molecular Formula | C6HCl3N2S |
|---|---|
| Molecular Weight | 237.89 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.89261 |
| Heavy Atoms | 12 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 1982-55-4 |
|---|---|
| SMILES | C1=C(C2=NSN=C2C(=C1Cl)Cl)Cl |
| InChIKey | SZYWFOPNFNROQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,1,3-Benzothiadiazole, 4,5,7-trichloro- (CAS 1982-55-4), with molecular formula C6HCl3N2S and molecular weight 237.89 g/mol. IUPAC: 4,5,7-trichloro-2,1,3-benzothiadiazole.
Chemical Property Profile of 2,1,3-Benzothiadiazole, 4,5,7-trichloro-
Property Insights of 2,1,3-Benzothiadiazole, 4,5,7-trichloro-
The XLogP value of 3.7 indicates that 2,1,3-Benzothiadiazole, 4,5,7-trichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 2,1,3-Benzothiadiazole, 4,5,7-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,1,3-Benzothiadiazole, 4,5,7-trichloro- has 0 hydrogen bond donor(s) and 3 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 2,1,3-Benzothiadiazole, 4,5,7-trichloro-?
The CAS number of 2,1,3-Benzothiadiazole, 4,5,7-trichloro- is 1982-55-4.
What is the molecular formula of 2,1,3-Benzothiadiazole, 4,5,7-trichloro-?
The molecular formula of 2,1,3-Benzothiadiazole, 4,5,7-trichloro- is C6HCl3N2S.
What is the molecular weight of 2,1,3-Benzothiadiazole, 4,5,7-trichloro-?
The molecular weight of 2,1,3-Benzothiadiazole, 4,5,7-trichloro- is 237.89 g/mol.
Where can I buy 2,1,3-Benzothiadiazole, 4,5,7-trichloro-?
You can request a quote for 2,1,3-Benzothiadiazole, 4,5,7-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzothiadiazole, 4,5,7-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzothiadiazole, 4,5,7-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.