2-(Ethoxycarbonylthio)benzothiazole
TL;DR: 2-(Ethoxycarbonylthio)benzothiazole (CAS 2178-86-1) is a chemical compound with molecular formula C10H9NO2S2 and molecular weight 239.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,3-benzothiazol-2-ylsulfanylformate
Also Known As: 2-(Ethoxycarbonylthio)benzothiazole, 2-CARBETHOXYTHIOBENZTHIAZOLE, ethyl 1,3-benzothiazol-2-ylsulfanylformate, Ethyl Benzothiazol-2-ylsulfanylformate, ETHYL (2-BENZOTHIAZOLYLTHIO)-FORMATE
| Molecular Formula | C10H9NO2S2 |
|---|---|
| Molecular Weight | 239.01 g/mol |
| LogP | 3.5449 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.00748 |
| Heavy Atoms | 15 |
| Complexity | 447.98206 |
Chemical Identifiers
| CAS Number | 2178-86-1 |
|---|---|
| SMILES | CCOC(=O)SC1=NC2=CC=CC=C2S1 |
Product Overview
2-(Ethoxycarbonylthio)benzothiazole (CAS 2178-86-1), with molecular formula C10H9NO2S2 and molecular weight 239.01 g/mol. IUPAC: ethyl 1,3-benzothiazol-2-ylsulfanylformate.
Chemical Property Profile of 2-(Ethoxycarbonylthio)benzothiazole
Property Insights of 2-(Ethoxycarbonylthio)benzothiazole
The XLogP value of 3.5449 indicates that 2-(Ethoxycarbonylthio)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 2-(Ethoxycarbonylthio)benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Ethoxycarbonylthio)benzothiazole has 0 hydrogen bond donor(s) and 5 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 2-(Ethoxycarbonylthio)benzothiazole?
The CAS number of 2-(Ethoxycarbonylthio)benzothiazole is 2178-86-1.
What is the molecular formula of 2-(Ethoxycarbonylthio)benzothiazole?
The molecular formula of 2-(Ethoxycarbonylthio)benzothiazole is C10H9NO2S2.
What is the molecular weight of 2-(Ethoxycarbonylthio)benzothiazole?
The molecular weight of 2-(Ethoxycarbonylthio)benzothiazole is 239.01 g/mol.
Where can I buy 2-(Ethoxycarbonylthio)benzothiazole?
You can request a quote for 2-(Ethoxycarbonylthio)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethoxycarbonylthio)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethoxycarbonylthio)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.