2,4,5-Trichloro-1,3-benzothiazole
TL;DR: 2,4,5-Trichloro-1,3-benzothiazole (CAS 898747-87-0) is a chemical compound with molecular formula C7H2Cl3NS and molecular weight 236.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-trichloro-1,3-benzothiazole
Also Known As: 2,4,5-Trichlorobenzo[d]thiazole, 2,4,5-trichloro-1,3-benzothiazole, 2,4,5-Trichlorobenzothiazole, benzothiazole, 2,4,5-trichloro-, 4906AC
| Molecular Formula | C7H2Cl3NS |
|---|---|
| Molecular Weight | 236.90 g/mol |
| LogP | 4.2565 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.89735 |
| Heavy Atoms | 12 |
| Complexity | 437.38925 |
Chemical Identifiers
| CAS Number | 898747-87-0 |
|---|---|
| SMILES | C1=CC(=C(C2=C1SC(=N2)Cl)Cl)Cl |
Product Overview
2,4,5-Trichloro-1,3-benzothiazole (CAS 898747-87-0), with molecular formula C7H2Cl3NS and molecular weight 236.90 g/mol. IUPAC: 2,4,5-trichloro-1,3-benzothiazole.
Chemical Property Profile of 2,4,5-Trichloro-1,3-benzothiazole
Property Insights of 2,4,5-Trichloro-1,3-benzothiazole
The XLogP value of 4.2565 indicates that 2,4,5-Trichloro-1,3-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, 2,4,5-Trichloro-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trichloro-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 2,4,5-Trichloro-1,3-benzothiazole?
The CAS number of 2,4,5-Trichloro-1,3-benzothiazole is 898747-87-0.
What is the molecular formula of 2,4,5-Trichloro-1,3-benzothiazole?
The molecular formula of 2,4,5-Trichloro-1,3-benzothiazole is C7H2Cl3NS.
What is the molecular weight of 2,4,5-Trichloro-1,3-benzothiazole?
The molecular weight of 2,4,5-Trichloro-1,3-benzothiazole is 236.90 g/mol.
Where can I buy 2,4,5-Trichloro-1,3-benzothiazole?
You can request a quote for 2,4,5-Trichloro-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 2,4,5-Trichloro-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trichloro-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.