Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate
TL;DR: Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate (CAS 52868-64-1) is a chemical compound with molecular formula C6H8N2O2S2 and molecular weight 204.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
Also Known As: ETHYL 5-AMINO-2-MERCAPTOTHIAZOLE-4-CARBOXYLATE, 4095AJ, ethyl 5-amino-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate, 5-Amino-2-mercapto-4-thiazolecarboxylic acid ethyl ester, 5-AMINO-2-MERCAPTO-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
| Molecular Formula | C6H8N2O2S2 |
|---|---|
| Molecular Weight | 204.00 g/mol |
| LogP | 1.56459 |
| Topological Polar Surface Area | 68.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.00272 |
| Heavy Atoms | 12 |
| Complexity | 341.56244 |
Chemical Identifiers
| CAS Number | 52868-64-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=S)N1)N |
Product Overview
Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate (CAS 52868-64-1), with molecular formula C6H8N2O2S2 and molecular weight 204.00 g/mol. IUPAC: ethyl 5-amino-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate
Property Insights of Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate
The XLogP value of 1.56459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate. The TPSA of 68.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate has 2 hydrogen bond donor(s) and 5 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 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate?
The CAS number of Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate is 52868-64-1.
What is the molecular formula of Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate?
The molecular formula of Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate is C6H8N2O2S2.
What is the molecular weight of Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate?
The molecular weight of Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate is 204.00 g/mol.
Where can I buy Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate?
You can request a quote for Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-2-sulfanylidene-2,3-dihydro-1,3-thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.