ethyl N-(1,2-benzothiazol-3-yl)carbamate
TL;DR: ethyl N-(1,2-benzothiazol-3-yl)carbamate (CAS 1134-82-3) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-(1,2-benzothiazol-3-yl)carbamate
Also Known As: Ethyl benzo[d]isothiazol-3-ylcarbamate, ethyl 1,2-benzothiazol-3-ylcarbamate, ethyl N-(1,2-benzothiazol-3-yl)carbamate, Ethylbenzo[d]isothiazol-3-ylcarbamate, Carbamic acid, N-(1,2-benzothiazol-3-yl)-, ethyl ester
Technical Specifications
| Molecular Formula | C10H10N2O2S |
| Molecular Weight | 222.0463 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 79.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0463 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | CCOC(=O)NC1=NSC2=CC=CC=C21 |
| InChIKey | XNYFYVLXYRSCPX-UHFFFAOYSA-N |
Chemical Property Profile of ethyl N-(1,2-benzothiazol-3-yl)carbamate
Property Insights of ethyl N-(1,2-benzothiazol-3-yl)carbamate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(1,2-benzothiazol-3-yl)carbamate. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(1,2-benzothiazol-3-yl)carbamate. Following Lipinski's Rule of Five, ethyl N-(1,2-benzothiazol-3-yl)carbamate 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
What is the CAS number of ethyl N-(1,2-benzothiazol-3-yl)carbamate?
The CAS number of ethyl N-(1,2-benzothiazol-3-yl)carbamate is 1134-82-3.
What is the molecular formula of ethyl N-(1,2-benzothiazol-3-yl)carbamate?
The molecular formula of ethyl N-(1,2-benzothiazol-3-yl)carbamate is C10H10N2O2S.
What is the molecular weight of ethyl N-(1,2-benzothiazol-3-yl)carbamate?
The molecular weight of ethyl N-(1,2-benzothiazol-3-yl)carbamate is 222.0463 g/mol.
Where can I buy ethyl N-(1,2-benzothiazol-3-yl)carbamate?
You can request a quote for ethyl N-(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-(1,2-benzothiazol-3-yl)carbamate?
Yes, CoreyChem provides custom synthesis services for ethyl N-(1,2-benzothiazol-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.