Amino-6-ethoxybenzothiazole, 2-
TL;DR: Amino-6-ethoxybenzothiazole, 2- (CAS 94-45-1) is a chemical compound with molecular formula C9H10N2OS and molecular weight 194.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-1,3-benzothiazol-2-amine
Also Known As: 2-AMINO-6-ETHOXYBENZOTHIAZOLE, 6-Ethoxy-1,3-benzothiazol-2-amine, 2-Benzothiazolamine, 6-ethoxy-, 6-Ethoxy-2-aminobenzothiazole, 6-Ethoxy-2-benzothiazolamine
| Molecular Formula | C9H10N2OS |
|---|---|
| Molecular Weight | 194.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.05139 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
| Melting Point | 322 to 162.8 °C |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 94-45-1 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)N |
| InChIKey | KOYJWFGMEBETBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amino-6-ethoxybenzothiazole, 2- (CAS 94-45-1), with molecular formula C9H10N2OS and molecular weight 194.05 g/mol. IUPAC: 6-ethoxy-1,3-benzothiazol-2-amine.
Chemical Property Profile of Amino-6-ethoxybenzothiazole, 2-
Property Insights of Amino-6-ethoxybenzothiazole, 2-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amino-6-ethoxybenzothiazole, 2-. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Amino-6-ethoxybenzothiazole, 2-. Following Lipinski's Rule of Five, Amino-6-ethoxybenzothiazole, 2- has 1 hydrogen bond donor(s) and 4 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 Amino-6-ethoxybenzothiazole, 2-?
The CAS number of Amino-6-ethoxybenzothiazole, 2- is 94-45-1.
What is the molecular formula of Amino-6-ethoxybenzothiazole, 2-?
The molecular formula of Amino-6-ethoxybenzothiazole, 2- is C9H10N2OS.
What is the molecular weight of Amino-6-ethoxybenzothiazole, 2-?
The molecular weight of Amino-6-ethoxybenzothiazole, 2- is 194.05 g/mol.
Where can I buy Amino-6-ethoxybenzothiazole, 2-?
You can request a quote for Amino-6-ethoxybenzothiazole, 2- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amino-6-ethoxybenzothiazole, 2-?
Yes, KEHONG BIO provides custom synthesis services for Amino-6-ethoxybenzothiazole, 2- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.