Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
TL;DR: Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate (CAS 473827-75-7) is a chemical compound with molecular formula C7H9NO2S2 and molecular weight 203.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv3_002526, methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate, methyl 3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate, Methyl 3,4-dimethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate, BRD-K31913494-001-01-3
| Molecular Formula | C7H9NO2S2 |
|---|---|
| Molecular Weight | 203.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.00748 |
| Heavy Atoms | 12 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 473827-75-7 |
|---|---|
| SMILES | CC1=C(SC(=S)N1C)C(=O)OC |
| InChIKey | VFLRRXMFSGVOSJ-UHFFFAOYSA-N |
Product Overview
Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate (CAS 473827-75-7), with molecular formula C7H9NO2S2 and molecular weight 203.01 g/mol. IUPAC: methyl 3,4-dimethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
Property Insights of Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-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-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The CAS number of Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is 473827-75-7.
What is the molecular formula of Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular formula of Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is C7H9NO2S2.
What is the molecular weight of Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular weight of Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is 203.01 g/mol.
Where can I buy Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
You can request a quote for Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-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-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.