Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate
TL;DR: Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate (CAS 370848-33-2) is a chemical compound with molecular formula C13H13NO2S2 and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: Antimony,phenoxytetraphenyl, benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate, AB01237667-03, F0913-3129, benzyl 3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
| Molecular Formula | C13H13NO2S2 |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.03876 |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 370848-33-2 |
|---|---|
| SMILES | CC1=C(SC(=S)N1C)C(=O)OCC2=CC=CC=C2 |
| InChIKey | MCUDTXHVHYHQIR-UHFFFAOYSA-N |
Product Overview
Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate (CAS 370848-33-2), with molecular formula C13H13NO2S2 and molecular weight 279.04 g/mol. IUPAC: benzyl 3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate
Property Insights of Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate
The XLogP value of 3.0 indicates that Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-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 Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate. Following Lipinski's Rule of Five, Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-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 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate?
The CAS number of Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate is 370848-33-2.
What is the molecular formula of Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate?
The molecular formula of Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate is C13H13NO2S2.
What is the molecular weight of Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate?
The molecular weight of Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate is 279.04 g/mol.
Where can I buy Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate?
You can request a quote for Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-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 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.