Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate
TL;DR: Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate (CAS 588695-58-3) is a chemical compound with molecular formula C11H13NO2S2 and molecular weight 255.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate
Also Known As: ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate, Ethyl 4-ethyl-2-isothiocyanato-5-methyl-thiophene-3-carboxylate, Ethyl 4-ethyl-2-isothiocyanato-5-methyl-3-thiophenecarboxylate
| Molecular Formula | C11H13NO2S2 |
|---|---|
| Molecular Weight | 255.04 g/mol |
| LogP | 3.52992 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.03877 |
| Heavy Atoms | 16 |
| Complexity | 445.08218 |
Chemical Identifiers
| CAS Number | 588695-58-3 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OCC)N=C=S)C |
Product Overview
Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate (CAS 588695-58-3), with molecular formula C11H13NO2S2 and molecular weight 255.04 g/mol. IUPAC: ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate
Property Insights of Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate
The XLogP value of 3.52992 indicates that Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate has 0 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 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate?
The CAS number of Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate is 588695-58-3.
What is the molecular formula of Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate?
The molecular formula of Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate is C11H13NO2S2.
What is the molecular weight of Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate?
The molecular weight of Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate is 255.04 g/mol.
Where can I buy Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate?
You can request a quote for Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-ethyl-2-isothiocyanato-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.