Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate
TL;DR: Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate (CAS 670261-49-1) is a chemical compound with molecular formula C14H15NO2S2 and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-benzyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ethyl 3-benzyl-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate, 3-Benzyl-4-methyl-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester, ethyl 3-benzyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate, ethyl 3-benzyl-4-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 3-benzyl-4-methyl-2-thioxo-thiazole-5-carboxylate
| Molecular Formula | C14H15NO2S2 |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 3.81251 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.0544 |
| Heavy Atoms | 19 |
| Complexity | 628.6407 |
Chemical Identifiers
| CAS Number | 670261-49-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)S1)CC2=CC=CC=C2)C |
Product Overview
Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate (CAS 670261-49-1), with molecular formula C14H15NO2S2 and molecular weight 293.05 g/mol. IUPAC: ethyl 3-benzyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate
Property Insights of Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate
The XLogP value of 3.81251 indicates that Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate has 0 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 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate?
The CAS number of Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate is 670261-49-1.
What is the molecular formula of Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate?
The molecular formula of Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate is C14H15NO2S2.
What is the molecular weight of Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate?
The molecular weight of Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate is 293.05 g/mol.
Where can I buy Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate?
You can request a quote for Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,3-dihydro-4-methyl-3-(phenylmethyl)-2-thioxo-5-thiazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.