Methyl 3-methyl-4-oxothiane-3-carboxylate
TL;DR: Methyl 3-methyl-4-oxothiane-3-carboxylate (CAS 86012-74-0) is a chemical compound with molecular formula C8H12O3S and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-4-oxothiane-3-carboxylate
Also Known As: methyl 3-methyl-4-oxothiane-3-carboxylate, 3-Carbomethoxy-3-methyltetrahydrothiopyran-4-one, methyl 3-methyl-4-oxotetrahydro-2h-thiopyran-3-carboxylate
| Molecular Formula | C8H12O3S |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.05072 |
| Heavy Atoms | 12 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 86012-74-0 |
|---|---|
| SMILES | CC1(CSCCC1=O)C(=O)OC |
| InChIKey | XBTXUZBFDFXDGA-UHFFFAOYSA-N |
Product Overview
Methyl 3-methyl-4-oxothiane-3-carboxylate (CAS 86012-74-0), with molecular formula C8H12O3S and molecular weight 188.05 g/mol. IUPAC: methyl 3-methyl-4-oxothiane-3-carboxylate.
Chemical Property Profile of Methyl 3-methyl-4-oxothiane-3-carboxylate
Property Insights of Methyl 3-methyl-4-oxothiane-3-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-4-oxothiane-3-carboxylate. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-methyl-4-oxothiane-3-carboxylate. Following Lipinski's Rule of Five, Methyl 3-methyl-4-oxothiane-3-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-methyl-4-oxothiane-3-carboxylate?
The CAS number of Methyl 3-methyl-4-oxothiane-3-carboxylate is 86012-74-0.
What is the molecular formula of Methyl 3-methyl-4-oxothiane-3-carboxylate?
The molecular formula of Methyl 3-methyl-4-oxothiane-3-carboxylate is C8H12O3S.
What is the molecular weight of Methyl 3-methyl-4-oxothiane-3-carboxylate?
The molecular weight of Methyl 3-methyl-4-oxothiane-3-carboxylate is 188.05 g/mol.
Where can I buy Methyl 3-methyl-4-oxothiane-3-carboxylate?
You can request a quote for Methyl 3-methyl-4-oxothiane-3-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-methyl-4-oxothiane-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-4-oxothiane-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.