Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
TL;DR: Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate (CAS 428846-92-8) is a chemical compound with molecular formula C18H15NO2S2 and molecular weight 341.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: AB01330471-02, benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate, benzyl 4-methyl-3-phenyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate, benzyl 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
| Molecular Formula | C18H15NO2S2 |
|---|---|
| Molecular Weight | 341.05 g/mol |
| LogP | 4.93371 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0544 |
| Heavy Atoms | 23 |
| Complexity | 867.0422 |
Chemical Identifiers
| CAS Number | 428846-92-8 |
|---|---|
| SMILES | CC1=C(SC(=S)N1C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 |
Product Overview
Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate (CAS 428846-92-8), with molecular formula C18H15NO2S2 and molecular weight 341.05 g/mol. IUPAC: benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Property Insights of Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
The XLogP value of 4.93371 indicates that Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate 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 Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate?
The CAS number of Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate is 428846-92-8.
What is the molecular formula of Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate?
The molecular formula of Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate is C18H15NO2S2.
What is the molecular weight of Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate?
The molecular weight of Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate is 341.05 g/mol.
Where can I buy Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate?
You can request a quote for Benzyl 4-methyl-3-phenyl-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 Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.