![3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile structure](/static/products/1149/114997-77-2.webp)
3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile
TL;DR: 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile (CAS 114997-77-2) is a chemical compound with molecular formula C10H10N4O2S and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[amino-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanenitrile
Also Known As: ChemDiv3_001145, 3-[1-(1,1-dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile, IDI1_020111, 2-amino-5-fluorophenyl 4-pyridyl ketone, BAS 02519587
| Molecular Formula | C10H10N4O2S |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 0.22488 |
| Topological Polar Surface Area | 99.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.05244 |
| Heavy Atoms | 17 |
| Complexity | 615.43823 |
Chemical Identifiers
| CAS Number | 114997-77-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)N(CCC#N)N |
Product Overview
3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile (CAS 114997-77-2), with molecular formula C10H10N4O2S and molecular weight 250.05 g/mol. IUPAC: 3-[amino-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanenitrile.
Chemical Property Profile of 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile
Property Insights of 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile
The XLogP value of 0.22488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile. The TPSA of 99.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile. Following Lipinski's Rule of Five, 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile has 1 hydrogen bond donor(s) and 5 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 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile?
The CAS number of 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile is 114997-77-2.
What is the molecular formula of 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile?
The molecular formula of 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile is C10H10N4O2S.
What is the molecular weight of 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile?
The molecular weight of 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile is 250.05 g/mol.
Where can I buy 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile?
You can request a quote for 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(1,1-Dioxido-1,2-benzisothiazol-3-yl)hydrazino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.