1,2-苯并异噻唑啉1,1-二氧化物
TL;DR: 1,2-苯并异噻唑啉1,1-二氧化物 (CAS 936-16-3) is a chemical compound with molecular formula C7H7NO2S and molecular weight 169.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-苯并异噻唑啉1,1-二氧化物
2,3-dihydro-1,2-benzothiazole 1,1-dioxide
Also Known As: 2,3-Dihydrobenzo[d]isothiazole 1,1-dioxide, Benzylsultam, 1,2-Bitdo, 2,3-Dihydro-1,1-dioxo-1,2-benzisothiazole, 2,3-dihydro-1,2-benzothiazole 1,1-dioxide
| Molecular Formula | C7H7NO2S |
|---|---|
| Molecular Weight | 169.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.01974 |
| Heavy Atoms | 11 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 936-16-3 |
|---|---|
| SMILES | C1C2=CC=CC=C2S(=O)(=O)N1 |
| InChIKey | GVYVHZKTSVDMNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-苯并异噻唑啉1,1-二氧化物 (CAS 936-16-3), with molecular formula C7H7NO2S and molecular weight 169.02 g/mol. IUPAC: 2,3-dihydro-1,2-benzothiazole 1,1-dioxide.
Chemical Property Profile of 1,2-苯并异噻唑啉1,1-二氧化物
Property Insights of 1,2-苯并异噻唑啉1,1-二氧化物
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-苯并异噻唑啉1,1-二氧化物. With a topological polar surface area (TPSA) of 54.6 Ų, 1,2-苯并异噻唑啉1,1-二氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-苯并异噻唑啉1,1-二氧化物 has 1 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 1,2-苯并异噻唑啉1,1-二氧化物?
The CAS number of 1,2-苯并异噻唑啉1,1-二氧化物 is 936-16-3.
What is the molecular formula of 1,2-苯并异噻唑啉1,1-二氧化物?
The molecular formula of 1,2-苯并异噻唑啉1,1-二氧化物 is C7H7NO2S.
What is the molecular weight of 1,2-苯并异噻唑啉1,1-二氧化物?
The molecular weight of 1,2-苯并异噻唑啉1,1-二氧化物 is 169.02 g/mol.
Where can I buy 1,2-苯并异噻唑啉1,1-二氧化物?
You can request a quote for 1,2-苯并异噻唑啉1,1-二氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-苯并异噻唑啉1,1-二氧化物?
Yes, KEHONG BIO provides custom synthesis services for 1,2-苯并异噻唑啉1,1-二氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.