Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate
TL;DR: Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate (CAS 105734-76-7) is a chemical compound with molecular formula C10H9N3O4S and molecular weight 267.03137 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate
Also Known As: Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate, ethyl(5-nitro-1,2-benzothiazol-3-yl)carbamate, Ethyl (5-nitro-1,2-benzothiazol-3(2H)-ylidene)carbamate, Ethyl N-(3-nitro-7-thia-8-azabicyclo[4.3.0]nona-2,4,8,10-tetraen-9-yl)carbamate
Technical Specifications
| Molecular Formula | C10H9N3O4S |
| Molecular Weight | 267.03137 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.03137 Da |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
| SMILES | CCOC(=O)NC1=NSC2=C1C=C(C=C2)[N+](=O)[O-] |
| InChIKey | FKHCPSGBQZKLOJ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate
Property Insights of Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate. Following Lipinski's Rule of Five, Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate?
The CAS number of Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate is 105734-76-7.
What is the molecular formula of Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate?
The molecular formula of Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate is C10H9N3O4S.
What is the molecular weight of Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate?
The molecular weight of Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate is 267.03137 g/mol.
Where can I buy Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate?
You can request a quote for Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate?
Yes, CoreyChem provides custom synthesis services for Ethyl N-(5-nitro-1,2-benzothiazol-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.