5-Amino-3-methyl-1,2-benzisothiazole
TL;DR: 5-Amino-3-methyl-1,2-benzisothiazole (CAS 73437-03-3) is a chemical compound with molecular formula C8H8N2S and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,2-benzothiazol-5-amine
Also Known As: 3-Methylbenzo[d]isothiazol-5-amine, 5-Amino-3-methyl-1,2-benzisothiazole, 3-methyl-1,2-benzothiazol-5-amine, 5-Amino-3-methylbenzisothiazole, 1,2-Benzisothiazol-5-amine,3-methyl-
| Molecular Formula | C8H8N2S |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 2.18692 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.04082 |
| Heavy Atoms | 11 |
| Complexity | 391.89142 |
Chemical Identifiers
| CAS Number | 73437-03-3 |
|---|---|
| SMILES | CC1=NSC2=C1C=C(C=C2)N |
Product Overview
5-Amino-3-methyl-1,2-benzisothiazole (CAS 73437-03-3), with molecular formula C8H8N2S and molecular weight 164.04 g/mol. IUPAC: 3-methyl-1,2-benzothiazol-5-amine.
Chemical Property Profile of 5-Amino-3-methyl-1,2-benzisothiazole
Property Insights of 5-Amino-3-methyl-1,2-benzisothiazole
The XLogP value of 2.18692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-3-methyl-1,2-benzisothiazole. With a topological polar surface area (TPSA) of 38.91 Ų, 5-Amino-3-methyl-1,2-benzisothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-3-methyl-1,2-benzisothiazole 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
Frequently Asked Questions
What is the CAS number of 5-Amino-3-methyl-1,2-benzisothiazole?
The CAS number of 5-Amino-3-methyl-1,2-benzisothiazole is 73437-03-3.
What is the molecular formula of 5-Amino-3-methyl-1,2-benzisothiazole?
The molecular formula of 5-Amino-3-methyl-1,2-benzisothiazole is C8H8N2S.
What is the molecular weight of 5-Amino-3-methyl-1,2-benzisothiazole?
The molecular weight of 5-Amino-3-methyl-1,2-benzisothiazole is 164.04 g/mol.
Where can I buy 5-Amino-3-methyl-1,2-benzisothiazole?
You can request a quote for 5-Amino-3-methyl-1,2-benzisothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-3-methyl-1,2-benzisothiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-3-methyl-1,2-benzisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.