Methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
TL;DR: Methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate (CAS 428827-19-4) is a chemical compound with molecular formula C12H10ClNO2S2 and molecular weight 298.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv3_002570, BRD-K82883921-001-01-9, methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate, methyl 3-(4-chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate, methyl 3-(4-chlorophenyl)-4-methyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate
| Molecular Formula | C12H10ClNO2S2 |
|---|---|
| Molecular Weight | 298.98 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.98416 |
| Heavy Atoms | 18 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 428827-19-4 |
|---|---|
| SMILES | CC1=C(SC(=S)N1C2=CC=C(C=C2)Cl)C(=O)OC |
| InChIKey | SLPBSOXAJPCYPF-UHFFFAOYSA-N |
Product Overview
Methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate (CAS 428827-19-4), with molecular formula C12H10ClNO2S2 and molecular weight 298.98 g/mol. IUPAC: methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Property Insights of Methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
The XLogP value of 3.7 indicates that Methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(4-chlorophenyl)-4-methyl-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 Methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate?
The CAS number of Methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate is 428827-19-4.
What is the molecular formula of Methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate?
The molecular formula of Methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate is C12H10ClNO2S2.
What is the molecular weight of Methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate?
The molecular weight of Methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate is 298.98 g/mol.
Where can I buy Methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate?
You can request a quote for Methyl 3-(4-chlorophenyl)-4-methyl-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 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.