Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
TL;DR: Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate (CAS 688337-82-8) is a chemical compound with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: AB01316059-02, F6548-4281, Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate, methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate, methyl 4-amino-2-thioxo-3-(p-tolyl)-2,3-dihydrothiazole-5-carboxylate
| Molecular Formula | C12H12N2O2S2 |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 2.94551 |
| Topological Polar Surface Area | 57.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.03403 |
| Heavy Atoms | 18 |
| Complexity | 641.0873 |
Chemical Identifiers
| CAS Number | 688337-82-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)OC)N |
Product Overview
Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate (CAS 688337-82-8), with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol. IUPAC: methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Property Insights of Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
The XLogP value of 2.94551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate. With a topological polar surface area (TPSA) of 57.25 Ų, Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate has 1 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 Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate?
The CAS number of Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate is 688337-82-8.
What is the molecular formula of Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate?
The molecular formula of Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate is C12H12N2O2S2.
What is the molecular weight of Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate?
The molecular weight of Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate is 280.03 g/mol.
Where can I buy Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate?
You can request a quote for Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.