2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester
TL;DR: 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester (CAS 20751-80-8) is a chemical compound with molecular formula C6H7N3O3S and molecular weight 201.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-nitro-1,3-thiazole-2-carboximidate
Also Known As: Ethyl 5-nitrothiazole-2-carboximidate, 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester, ethyl 5-nitro-1,3-thiazole-2-carboximidate, 2-Thiazolecarboximidic acid,5-nitro-,ethyl ester, Ethyl 5-nitro-1,3-thiazole-2-carboximidoate #
| Molecular Formula | C6H7N3O3S |
|---|---|
| Molecular Weight | 201.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.02081 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 20751-80-8 |
|---|---|
| SMILES | CCOC(=N)C1=NC=C(S1)[N+](=O)[O-] |
| InChIKey | OPCWQJAUNKMKSI-UHFFFAOYSA-N |
Product Overview
2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester (CAS 20751-80-8), with molecular formula C6H7N3O3S and molecular weight 201.02 g/mol. IUPAC: ethyl 5-nitro-1,3-thiazole-2-carboximidate.
Chemical Property Profile of 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester
Property Insights of 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester. Following Lipinski's Rule of Five, 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester 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
Frequently Asked Questions
What is the CAS number of 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester?
The CAS number of 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester is 20751-80-8.
What is the molecular formula of 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester?
The molecular formula of 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester is C6H7N3O3S.
What is the molecular weight of 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester?
The molecular weight of 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester is 201.02 g/mol.
Where can I buy 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester?
You can request a quote for 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiazolecarboximidic acid, 5-nitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.