1,2-Benzisothiazole-3-acetonitrile, 5-amino-
TL;DR: 1,2-Benzisothiazole-3-acetonitrile, 5-amino- (CAS 343791-92-4) is a chemical compound with molecular formula C9H7N3S and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-amino-1,2-benzothiazol-3-yl)acetonitrile
Also Known As: 1,2-benzisothiazole-3-acetonitrile, 5-amino-, (5-amino-1,2-benzisothiazol-3-yl)acetonitrile, 2-(5-amino-1,2-benzothiazol-3-yl)acetonitrile, AA-516/30041028
| Molecular Formula | C9H7N3S |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 1.94458 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.03607 |
| Heavy Atoms | 13 |
| Complexity | 481.05573 |
Chemical Identifiers
| CAS Number | 343791-92-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1N)C(=NS2)CC#N |
Product Overview
1,2-Benzisothiazole-3-acetonitrile, 5-amino- (CAS 343791-92-4), with molecular formula C9H7N3S and molecular weight 189.04 g/mol. IUPAC: 2-(5-amino-1,2-benzothiazol-3-yl)acetonitrile.
Chemical Property Profile of 1,2-Benzisothiazole-3-acetonitrile, 5-amino-
Property Insights of 1,2-Benzisothiazole-3-acetonitrile, 5-amino-
The XLogP value of 1.94458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisothiazole-3-acetonitrile, 5-amino-. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazole-3-acetonitrile, 5-amino-. Following Lipinski's Rule of Five, 1,2-Benzisothiazole-3-acetonitrile, 5-amino- 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 1,2-Benzisothiazole-3-acetonitrile, 5-amino-?
The CAS number of 1,2-Benzisothiazole-3-acetonitrile, 5-amino- is 343791-92-4.
What is the molecular formula of 1,2-Benzisothiazole-3-acetonitrile, 5-amino-?
The molecular formula of 1,2-Benzisothiazole-3-acetonitrile, 5-amino- is C9H7N3S.
What is the molecular weight of 1,2-Benzisothiazole-3-acetonitrile, 5-amino-?
The molecular weight of 1,2-Benzisothiazole-3-acetonitrile, 5-amino- is 189.04 g/mol.
Where can I buy 1,2-Benzisothiazole-3-acetonitrile, 5-amino-?
You can request a quote for 1,2-Benzisothiazole-3-acetonitrile, 5-amino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisothiazole-3-acetonitrile, 5-amino-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazole-3-acetonitrile, 5-amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.