N-甲基苯并噻唑-2-胺
TL;DR: N-甲基苯并噻唑-2-胺 (CAS 16954-69-1) 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.
N-甲基苯并噻唑-2-胺
N-methyl-1,3-benzothiazol-2-amine
Also Known As: N-Methyl-1,3-benzothiazol-2-amine, 2-methylaminobenzethiazole, N-Methylbenzo[d]thiazol-2-amine, 2-Benzothiazolamine, N-methyl-, N-Methylbenzothiazol-2-amine
| Molecular Formula | C8H8N2S |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.04082 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 16954-69-1 |
|---|---|
| SMILES | CNC1=NC2=CC=CC=C2S1 |
| InChIKey | QVKPPRYUGJFISN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-甲基苯并噻唑-2-胺 (CAS 16954-69-1), with molecular formula C8H8N2S and molecular weight 164.04 g/mol. IUPAC: N-methyl-1,3-benzothiazol-2-amine.
Chemical Property Profile of N-甲基苯并噻唑-2-胺
Property Insights of N-甲基苯并噻唑-2-胺
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-甲基苯并噻唑-2-胺. With a topological polar surface area (TPSA) of 53.2 Ų, N-甲基苯并噻唑-2-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-甲基苯并噻唑-2-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 N-甲基苯并噻唑-2-胺?
The CAS number of N-甲基苯并噻唑-2-胺 is 16954-69-1.
What is the molecular formula of N-甲基苯并噻唑-2-胺?
The molecular formula of N-甲基苯并噻唑-2-胺 is C8H8N2S.
What is the molecular weight of N-甲基苯并噻唑-2-胺?
The molecular weight of N-甲基苯并噻唑-2-胺 is 164.04 g/mol.
Where can I buy N-甲基苯并噻唑-2-胺?
You can request a quote for N-甲基苯并噻唑-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-甲基苯并噻唑-2-胺?
Yes, KEHONG BIO provides custom synthesis services for N-甲基苯并噻唑-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.