Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate
TL;DR: Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate (CAS 41940-49-2) is a chemical compound with molecular formula C9H10N2O2S2 and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate
Also Known As: ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate, ETHYL 5-AMINO-4-(CYANOSULFANYL)-3-METHYLTHIOPHENE-2-CARBOXYLATE, AB01324124-02, AB01324124-03, AH-262/33341056
| Molecular Formula | C9H10N2O2S2 |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 2.3886 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.01837 |
| Heavy Atoms | 15 |
| Complexity | 420.4822 |
Chemical Identifiers
| CAS Number | 41940-49-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)N)SC#N)C |
Product Overview
Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate (CAS 41940-49-2), with molecular formula C9H10N2O2S2 and molecular weight 242.02 g/mol. IUPAC: ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate.
Chemical Property Profile of Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate
Property Insights of Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate
The XLogP value of 2.3886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate 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 Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate?
The CAS number of Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate is 41940-49-2.
What is the molecular formula of Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate?
The molecular formula of Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate is C9H10N2O2S2.
What is the molecular weight of Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate?
The molecular weight of Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate is 242.02 g/mol.
Where can I buy Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate?
You can request a quote for Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-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-3-methyl-4-thiocyanatothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.