3-Chloro-1,2-benzisothiazol-7-amine
TL;DR: 3-Chloro-1,2-benzisothiazol-7-amine (CAS 148193-31-1) is a chemical compound with molecular formula C7H5ClN2S and molecular weight 183.98619 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-1,2-benzothiazol-7-amine
Also Known As: 3-Chloro-1,2-benzisothiazol-7-amine, 3-chloro-1,2-benzothiazol-7-amine, 1,2-Benzisothiazol-7-amine, 3-chloro-, 3-chlorobenzo[d]isothiazol-7-amine, 3-CHLOROBENZO(D)ISOTHIAZOL-7-AMINE
Technical Specifications
| Molecular Formula | C7H5ClN2S |
| Molecular Weight | 183.98619 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.98619 Da |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
| SMILES | C1=CC2=C(C(=C1)N)SN=C2Cl |
| InChIKey | QEMAADKFXFAFPL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-1,2-benzisothiazol-7-amine
Property Insights of 3-Chloro-1,2-benzisothiazol-7-amine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1,2-benzisothiazol-7-amine. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-1,2-benzisothiazol-7-amine. Following Lipinski's Rule of Five, 3-Chloro-1,2-benzisothiazol-7-amine 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
What is the CAS number of 3-Chloro-1,2-benzisothiazol-7-amine?
The CAS number of 3-Chloro-1,2-benzisothiazol-7-amine is 148193-31-1.
What is the molecular formula of 3-Chloro-1,2-benzisothiazol-7-amine?
The molecular formula of 3-Chloro-1,2-benzisothiazol-7-amine is C7H5ClN2S.
What is the molecular weight of 3-Chloro-1,2-benzisothiazol-7-amine?
The molecular weight of 3-Chloro-1,2-benzisothiazol-7-amine is 183.98619 g/mol.
Where can I buy 3-Chloro-1,2-benzisothiazol-7-amine?
You can request a quote for 3-Chloro-1,2-benzisothiazol-7-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-1,2-benzisothiazol-7-amine?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-1,2-benzisothiazol-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.