1,3-Benzothiazole-6-sulfonyl chloride
TL;DR: 1,3-Benzothiazole-6-sulfonyl chloride (CAS 18422-53-2) is a chemical compound with molecular formula C7H4ClNO2S2 and molecular weight 232.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazole-6-sulfonyl chloride
Also Known As: 1,3-benzothiazole-6-sulfonyl chloride, Benzo[d]thiazole-6-sulfonyl chloride, 6-Benzothiazolesulfonyl chloride, 1,3-benzothiazole-6-sulfonylchloride, 6-Chlorosulfonylbenzothiazole
| Molecular Formula | C7H4ClNO2S2 |
|---|---|
| Molecular Weight | 232.94 g/mol |
| LogP | 2.2238 |
| Topological Polar Surface Area | 47.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.9372 |
| Heavy Atoms | 13 |
| Complexity | 546.3728 |
Chemical Identifiers
| CAS Number | 18422-53-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1S(=O)(=O)Cl)SC=N2 |
Product Overview
1,3-Benzothiazole-6-sulfonyl chloride (CAS 18422-53-2), with molecular formula C7H4ClNO2S2 and molecular weight 232.94 g/mol. IUPAC: 1,3-benzothiazole-6-sulfonyl chloride.
Chemical Property Profile of 1,3-Benzothiazole-6-sulfonyl chloride
Property Insights of 1,3-Benzothiazole-6-sulfonyl chloride
The XLogP value of 2.2238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzothiazole-6-sulfonyl chloride. With a topological polar surface area (TPSA) of 47.03 Ų, 1,3-Benzothiazole-6-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzothiazole-6-sulfonyl chloride has 0 hydrogen bond donor(s) and 4 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 1,3-Benzothiazole-6-sulfonyl chloride?
The CAS number of 1,3-Benzothiazole-6-sulfonyl chloride is 18422-53-2.
What is the molecular formula of 1,3-Benzothiazole-6-sulfonyl chloride?
The molecular formula of 1,3-Benzothiazole-6-sulfonyl chloride is C7H4ClNO2S2.
What is the molecular weight of 1,3-Benzothiazole-6-sulfonyl chloride?
The molecular weight of 1,3-Benzothiazole-6-sulfonyl chloride is 232.94 g/mol.
Where can I buy 1,3-Benzothiazole-6-sulfonyl chloride?
You can request a quote for 1,3-Benzothiazole-6-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzothiazole-6-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzothiazole-6-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.