N-methyl-1,2-benzothiazol-3-amine
TL;DR: N-methyl-1,2-benzothiazol-3-amine (CAS 7716-58-7) 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-methyl-1,2-benzothiazol-3-amine
Also Known As: N-methyl-1,2-benzothiazol-3-amine, N-Methylbenzo[d]isothiazol-3-amine, methylaminobenzothiazole n, 1,2-Benzisothiazol-3-amine, N-methyl-, N-methyl-7-thia-8-azabicyclo[4.3.0]nona-1,3,5,8-tetraen-9-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 | 7716-58-7 |
|---|---|
| SMILES | CNC1=NSC2=CC=CC=C21 |
| InChIKey | PBOWATRTPOODND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-methyl-1,2-benzothiazol-3-amine (CAS 7716-58-7), with molecular formula C8H8N2S and molecular weight 164.04 g/mol. IUPAC: N-methyl-1,2-benzothiazol-3-amine.
Chemical Property Profile of N-methyl-1,2-benzothiazol-3-amine
Property Insights of N-methyl-1,2-benzothiazol-3-amine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-1,2-benzothiazol-3-amine. With a topological polar surface area (TPSA) of 53.2 Ų, N-methyl-1,2-benzothiazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-1,2-benzothiazol-3-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
Frequently Asked Questions
What is the CAS number of N-methyl-1,2-benzothiazol-3-amine?
The CAS number of N-methyl-1,2-benzothiazol-3-amine is 7716-58-7.
What is the molecular formula of N-methyl-1,2-benzothiazol-3-amine?
The molecular formula of N-methyl-1,2-benzothiazol-3-amine is C8H8N2S.
What is the molecular weight of N-methyl-1,2-benzothiazol-3-amine?
The molecular weight of N-methyl-1,2-benzothiazol-3-amine is 164.04 g/mol.
Where can I buy N-methyl-1,2-benzothiazol-3-amine?
You can request a quote for N-methyl-1,2-benzothiazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-1,2-benzothiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-1,2-benzothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.