2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride
TL;DR: 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride (CAS 62426-05-5) is a chemical compound with molecular formula C7H4ClNO3S2 and molecular weight 248.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-3H-1,3-benzothiazole-6-sulfonyl chloride
Also Known As: 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride, 2-oxo-3H-1,3-benzothiazole-6-sulfonyl chloride, 2-Oxo-2,3-dihydro-benzothiazole-6-sulfonyl chloride, 2-Oxo-2,3-dihydrobenzo[d]thiazole-6-sulfonyl chloride, ZERO/005225
| Molecular Formula | C7H4ClNO3S2 |
|---|---|
| Molecular Weight | 248.93 g/mol |
| LogP | 1.5171 |
| Topological Polar Surface Area | 67.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.93211 |
| Heavy Atoms | 14 |
| Complexity | 640.24384 |
Chemical Identifiers
| CAS Number | 62426-05-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1S(=O)(=O)Cl)SC(=O)N2 |
Product Overview
2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride (CAS 62426-05-5), with molecular formula C7H4ClNO3S2 and molecular weight 248.93 g/mol. IUPAC: 2-oxo-3H-1,3-benzothiazole-6-sulfonyl chloride.
Chemical Property Profile of 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride
Property Insights of 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride
The XLogP value of 1.5171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride. Following Lipinski's Rule of Five, 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride has 1 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 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride?
The CAS number of 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride is 62426-05-5.
What is the molecular formula of 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride?
The molecular formula of 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride is C7H4ClNO3S2.
What is the molecular weight of 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride?
The molecular weight of 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride is 248.93 g/mol.
Where can I buy 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride?
You can request a quote for 2-Oxo-2,3-dihydro-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 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.