Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate
TL;DR: Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate (CAS 1159-72-4) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate
Also Known As: Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate, ethyl(5-methyl-1,2-benzothiazol-3-yl)carbamate, Ethyl (5-methyl-1,2-benzothiazol-3(2H)-ylidene)carbamate, Carbamic acid,(5-methyl-1,2-benzisothiazol-3-yl)-, ethyl ester (9CI), Ethyl N-(3-methyl-7-thia-8-azabicyclo[4.3.0]nona-2,4,8,10-tetraen-9-yl)carbamate
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 1159-72-4 |
|---|---|
| SMILES | CCOC(=O)NC1=NSC2=C1C=C(C=C2)C |
| InChIKey | VVLSLOVNJLBPKS-UHFFFAOYSA-N |
Product Overview
Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate (CAS 1159-72-4), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate.
Chemical Property Profile of Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate
Property Insights of Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate
The XLogP value of 3.0 indicates that Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate. Following Lipinski's Rule of Five, Ethyl N-(5-methyl-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
Frequently Asked Questions
What is the CAS number of Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate?
The CAS number of Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate is 1159-72-4.
What is the molecular formula of Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate?
The molecular formula of Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate is C11H12N2O2S.
What is the molecular weight of Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate?
The molecular weight of Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate is 236.06 g/mol.
Where can I buy Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate?
You can request a quote for Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-(5-methyl-1,2-benzothiazol-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.