2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide
TL;DR: 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide (CAS 4899-37-0) is a chemical compound with molecular formula C8H4Cl3NO3S2 and molecular weight 330.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-(trichloromethylsulfanyl)-1,2-benzothiazol-3-one
Also Known As: 1,1-dioxo-2-(trichloromethylsulfanyl)-1,2-benzothiazol-3-one, 2-(TRICHLOROMETHYLTHIO)-1,2-BENZISOTHIAZOL-3(2H)-ONE-1,1-DIOXIDE, 9,9-dioxo-8-(trichloromethylsulfanyl)-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-7-one
| Molecular Formula | C8H4Cl3NO3S2 |
|---|---|
| Molecular Weight | 330.87 g/mol |
| LogP | 2.807 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.8698 |
| Heavy Atoms | 17 |
| Complexity | 581.92334 |
Chemical Identifiers
| CAS Number | 4899-37-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)SC(Cl)(Cl)Cl |
Product Overview
2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide (CAS 4899-37-0), with molecular formula C8H4Cl3NO3S2 and molecular weight 330.87 g/mol. IUPAC: 1,1-dioxo-2-(trichloromethylsulfanyl)-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide
Property Insights of 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide
The XLogP value of 2.807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide. With a topological polar surface area (TPSA) of 54.45 Ų, 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide 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 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide?
The CAS number of 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide is 4899-37-0.
What is the molecular formula of 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide?
The molecular formula of 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide is C8H4Cl3NO3S2.
What is the molecular weight of 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide?
The molecular weight of 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide is 330.87 g/mol.
Where can I buy 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide?
You can request a quote for 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trichloromethylthio)-1,2-benzisothiazol-3(2H)-one-1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.