2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide
TL;DR: 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide (CAS 731002-08-7) is a chemical compound with molecular formula C9H8N2O3S2 and molecular weight 256.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethanethioamide
Also Known As: 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide, 2-(1,1,3-trioxo-2,3-dihydro-1,2-benzothiazol-2-yl)ethanethioamide, 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethanethioamide, 2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)ethanethioamide, 2-(1,1,3-trioxo-2,3-dihydro-1$l^{6},2-benzothiazol-2-yl)ethanethioamide
| Molecular Formula | C9H8N2O3S2 |
|---|---|
| Molecular Weight | 256.00 g/mol |
| LogP | 0.1172 |
| Topological Polar Surface Area | 80.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.99763 |
| Heavy Atoms | 16 |
| Complexity | 580.1718 |
Chemical Identifiers
| CAS Number | 731002-08-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=S)N |
Product Overview
2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide (CAS 731002-08-7), with molecular formula C9H8N2O3S2 and molecular weight 256.00 g/mol. IUPAC: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethanethioamide.
Chemical Property Profile of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide
Property Insights of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide
The XLogP value of 0.1172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide. The TPSA of 80.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide. Following Lipinski's Rule of Five, 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide 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-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide?
The CAS number of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide is 731002-08-7.
What is the molecular formula of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide?
The molecular formula of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide is C9H8N2O3S2.
What is the molecular weight of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide?
The molecular weight of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide is 256.00 g/mol.
Where can I buy 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide?
You can request a quote for 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.