N-Ethyl-2-benzothiazolamine
TL;DR: N-Ethyl-2-benzothiazolamine (CAS 28291-69-2) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-1,3-benzothiazol-2-amine
Also Known As: N-Ethyl-1,3-benzothiazol-2-amine, N-ethylbenzo[d]thiazol-2-amine, 2-ethylamino-benzthiazole, N-ETHYL-2-BENZOTHIAZOLAMINE, 2-ethylamino-benzothiazole
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 28291-69-2 |
|---|---|
| SMILES | CCNC1=NC2=CC=CC=C2S1 |
| InChIKey | SPJIVJKZYGYWQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Ethyl-2-benzothiazolamine (CAS 28291-69-2), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: N-ethyl-1,3-benzothiazol-2-amine.
Chemical Property Profile of N-Ethyl-2-benzothiazolamine
Property Insights of N-Ethyl-2-benzothiazolamine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Ethyl-2-benzothiazolamine. With a topological polar surface area (TPSA) of 53.2 Ų, N-Ethyl-2-benzothiazolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Ethyl-2-benzothiazolamine 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-Ethyl-2-benzothiazolamine?
The CAS number of N-Ethyl-2-benzothiazolamine is 28291-69-2.
What is the molecular formula of N-Ethyl-2-benzothiazolamine?
The molecular formula of N-Ethyl-2-benzothiazolamine is C9H10N2S.
What is the molecular weight of N-Ethyl-2-benzothiazolamine?
The molecular weight of N-Ethyl-2-benzothiazolamine is 178.06 g/mol.
Where can I buy N-Ethyl-2-benzothiazolamine?
You can request a quote for N-Ethyl-2-benzothiazolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethyl-2-benzothiazolamine?
Yes, KEHONG BIO provides custom synthesis services for N-Ethyl-2-benzothiazolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.