2-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole
TL;DR: 2-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole (CAS 26846-98-0) is a chemical compound with molecular formula C7H8ClNS and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazole
Also Known As: 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazole, 2-Chlorobenzothiazole, 2-Chloro-4,5,6,7-tetrahydrobenzo[d]thiazole, 2-chloro-4,5,6,7-tetrahydrobenzothiazole, chlorotetrahydrobenzothiazole
| Molecular Formula | C7H8ClNS |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | 2.6753 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.00659 |
| Heavy Atoms | 10 |
| Complexity | 220.25418 |
Chemical Identifiers
| CAS Number | 26846-98-0 |
|---|---|
| SMILES | C1CCC2=C(C1)N=C(S2)Cl |
Product Overview
2-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole (CAS 26846-98-0), with molecular formula C7H8ClNS and molecular weight 173.01 g/mol. IUPAC: 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazole.
Chemical Property Profile of 2-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole
Property Insights of 2-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole
The XLogP value of 2.6753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole. With a topological polar surface area (TPSA) of 12.89 Ų, 2-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4,5,6,7-tetrahydro-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-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole?
The CAS number of 2-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole is 26846-98-0.
What is the molecular formula of 2-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole?
The molecular formula of 2-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole is C7H8ClNS.
What is the molecular weight of 2-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole?
The molecular weight of 2-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole is 173.01 g/mol.
Where can I buy 2-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole?
You can request a quote for 2-Chloro-4,5,6,7-tetrahydro-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-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.