n-Ethyl-2,1-benzothiazol-3-amine
TL;DR: n-Ethyl-2,1-benzothiazol-3-amine (CAS 52214-59-2) 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-2,1-benzothiazol-3-amine
Also Known As: Etisazole, n-ethyl-2,1-benzothiazol-3-amine, 3-(Ethylamino)-2,1-benzisothiazole, 2,1-Benzisothiazol-3-amine, N-ethyl-, N-ETHYL-2,1-BENZISOTHIAZOL-3-AMINE
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 3.0 |
| 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 | 52214-59-2 |
|---|---|
| SMILES | CCNC1=C2C=CC=CC2=NS1 |
| InChIKey | HYMICPOXKZEDRM-UHFFFAOYSA-N |
Product Overview
n-Ethyl-2,1-benzothiazol-3-amine (CAS 52214-59-2), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: N-ethyl-2,1-benzothiazol-3-amine.
Chemical Property Profile of n-Ethyl-2,1-benzothiazol-3-amine
Property Insights of n-Ethyl-2,1-benzothiazol-3-amine
The XLogP value of 3.0 indicates that n-Ethyl-2,1-benzothiazol-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.2 Ų, n-Ethyl-2,1-benzothiazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Ethyl-2,1-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-Ethyl-2,1-benzothiazol-3-amine?
The CAS number of n-Ethyl-2,1-benzothiazol-3-amine is 52214-59-2.
What is the molecular formula of n-Ethyl-2,1-benzothiazol-3-amine?
The molecular formula of n-Ethyl-2,1-benzothiazol-3-amine is C9H10N2S.
What is the molecular weight of n-Ethyl-2,1-benzothiazol-3-amine?
The molecular weight of n-Ethyl-2,1-benzothiazol-3-amine is 178.06 g/mol.
Where can I buy n-Ethyl-2,1-benzothiazol-3-amine?
You can request a quote for n-Ethyl-2,1-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-Ethyl-2,1-benzothiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for n-Ethyl-2,1-benzothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.