2-(Ethylsulphonyl)-6-nitrobenzothiazole
TL;DR: 2-(Ethylsulphonyl)-6-nitrobenzothiazole (CAS 19094-32-7) is a chemical compound with molecular formula C9H8N2O4S2 and molecular weight 271.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfonyl-6-nitro-1,3-benzothiazole
Also Known As: 2-(Ethylsulphonyl)-6-nitrobenzothiazole, DivK1c_005029, 2-ethylsulfonyl-6-nitro-1,3-benzothiazole, benzothiazole, 2-(ethylsulfonyl)-6-nitro-, 2-(ethylsulfonyl)-6-nitrobenzo[d]thiazole
| Molecular Formula | C9H8N2O4S2 |
|---|---|
| Molecular Weight | 271.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.99255 |
| Heavy Atoms | 17 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 19094-32-7 |
|---|---|
| SMILES | CCS(=O)(=O)C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | HEWSLJHLRNJJKR-UHFFFAOYSA-N |
Product Overview
2-(Ethylsulphonyl)-6-nitrobenzothiazole (CAS 19094-32-7), with molecular formula C9H8N2O4S2 and molecular weight 271.99 g/mol. IUPAC: 2-ethylsulfonyl-6-nitro-1,3-benzothiazole.
Chemical Property Profile of 2-(Ethylsulphonyl)-6-nitrobenzothiazole
Property Insights of 2-(Ethylsulphonyl)-6-nitrobenzothiazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethylsulphonyl)-6-nitrobenzothiazole. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethylsulphonyl)-6-nitrobenzothiazole. Following Lipinski's Rule of Five, 2-(Ethylsulphonyl)-6-nitrobenzothiazole has 0 hydrogen bond donor(s) and 6 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-(Ethylsulphonyl)-6-nitrobenzothiazole?
The CAS number of 2-(Ethylsulphonyl)-6-nitrobenzothiazole is 19094-32-7.
What is the molecular formula of 2-(Ethylsulphonyl)-6-nitrobenzothiazole?
The molecular formula of 2-(Ethylsulphonyl)-6-nitrobenzothiazole is C9H8N2O4S2.
What is the molecular weight of 2-(Ethylsulphonyl)-6-nitrobenzothiazole?
The molecular weight of 2-(Ethylsulphonyl)-6-nitrobenzothiazole is 271.99 g/mol.
Where can I buy 2-(Ethylsulphonyl)-6-nitrobenzothiazole?
You can request a quote for 2-(Ethylsulphonyl)-6-nitrobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethylsulphonyl)-6-nitrobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylsulphonyl)-6-nitrobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.