5-甲基-2,1-苯并异噻唑-3-胺
TL;DR: 5-甲基-2,1-苯并异噻唑-3-胺 (CAS 99523-86-1) 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.
5-甲基-2,1-苯并异噻唑-3-胺
5-methyl-2,1-benzothiazol-3-amine
Also Known As: 5-Methyl-2,1-benzisothiazol-3-amine, 5-methyl-2,1-benzothiazol-3-amine, 3-Amino-5-methyl-2,1-benzisothiazole
| Molecular Formula | C8H8N2S |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.04082 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 99523-86-1 |
|---|---|
| SMILES | CC1=CC2=C(SN=C2C=C1)N |
| InChIKey | YISGCCRQRUYWKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-甲基-2,1-苯并异噻唑-3-胺 (CAS 99523-86-1), with molecular formula C8H8N2S and molecular weight 164.04 g/mol. IUPAC: 5-methyl-2,1-benzothiazol-3-amine.
Chemical Property Profile of 5-甲基-2,1-苯并异噻唑-3-胺
Property Insights of 5-甲基-2,1-苯并异噻唑-3-胺
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-甲基-2,1-苯并异噻唑-3-胺. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-甲基-2,1-苯并异噻唑-3-胺. Following Lipinski's Rule of Five, 5-甲基-2,1-苯并异噻唑-3-胺 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-甲基-2,1-苯并异噻唑-3-胺?
The CAS number of 5-甲基-2,1-苯并异噻唑-3-胺 is 99523-86-1.
What is the molecular formula of 5-甲基-2,1-苯并异噻唑-3-胺?
The molecular formula of 5-甲基-2,1-苯并异噻唑-3-胺 is C8H8N2S.
What is the molecular weight of 5-甲基-2,1-苯并异噻唑-3-胺?
The molecular weight of 5-甲基-2,1-苯并异噻唑-3-胺 is 164.04 g/mol.
Where can I buy 5-甲基-2,1-苯并异噻唑-3-胺?
You can request a quote for 5-甲基-2,1-苯并异噻唑-3-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-甲基-2,1-苯并异噻唑-3-胺?
Yes, KEHONG BIO provides custom synthesis services for 5-甲基-2,1-苯并异噻唑-3-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.