O-methyl 2-oxopyrrolidine-1-carbothioate
TL;DR: O-methyl 2-oxopyrrolidine-1-carbothioate (CAS 34653-19-5) is a chemical compound with molecular formula C6H9NO2S and molecular weight 159.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl 2-oxopyrrolidine-1-carbothioate
Also Known As: O-methyl 2-oxopyrrolidine-1-carbothioate, 1-pyrrolidinecarbothioic acid, 2-oxo-, O-methyl ester, 2-PYRROLIDONE,1-METHOXYTHIOCARBONYL MFC6 H9 N1 O2 S1, InChI=1/C6H9NO2S/c1-9-6(10)7-4-2-3-5(7)8/h2-4H2,1H
| Molecular Formula | C6H9NO2S |
|---|---|
| Molecular Weight | 159.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.0354 |
| Heavy Atoms | 10 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 34653-19-5 |
|---|---|
| SMILES | COC(=S)N1CCCC1=O |
| InChIKey | FQMPXATYPZKSBZ-UHFFFAOYSA-N |
Product Overview
O-methyl 2-oxopyrrolidine-1-carbothioate (CAS 34653-19-5), with molecular formula C6H9NO2S and molecular weight 159.04 g/mol. IUPAC: O-methyl 2-oxopyrrolidine-1-carbothioate.
Chemical Property Profile of O-methyl 2-oxopyrrolidine-1-carbothioate
Property Insights of O-methyl 2-oxopyrrolidine-1-carbothioate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-methyl 2-oxopyrrolidine-1-carbothioate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O-methyl 2-oxopyrrolidine-1-carbothioate. Following Lipinski's Rule of Five, O-methyl 2-oxopyrrolidine-1-carbothioate has 0 hydrogen bond donor(s) and 3 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 O-methyl 2-oxopyrrolidine-1-carbothioate?
The CAS number of O-methyl 2-oxopyrrolidine-1-carbothioate is 34653-19-5.
What is the molecular formula of O-methyl 2-oxopyrrolidine-1-carbothioate?
The molecular formula of O-methyl 2-oxopyrrolidine-1-carbothioate is C6H9NO2S.
What is the molecular weight of O-methyl 2-oxopyrrolidine-1-carbothioate?
The molecular weight of O-methyl 2-oxopyrrolidine-1-carbothioate is 159.04 g/mol.
Where can I buy O-methyl 2-oxopyrrolidine-1-carbothioate?
You can request a quote for O-methyl 2-oxopyrrolidine-1-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-methyl 2-oxopyrrolidine-1-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for O-methyl 2-oxopyrrolidine-1-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.