Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate
TL;DR: Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate (CAS 852399-75-8) is a chemical compound with molecular formula C8H13NO2S2 and molecular weight 219.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate
Also Known As: methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate, methyl [(pyrrolidin-1-ylcarbonothioyl)thio]acetate, J2.394.467G, Methyl 2-[(1-pyrrolidinylthioxomethyl)thio]acetate, methyl2-(pyrrolidine-1-carbothioylsulfanyl)acetate
| Molecular Formula | C8H13NO2S2 |
|---|---|
| Molecular Weight | 219.04 g/mol |
| LogP | 1.2733 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.03877 |
| Heavy Atoms | 13 |
| Complexity | 202.32071 |
Chemical Identifiers
| CAS Number | 852399-75-8 |
|---|---|
| SMILES | COC(=O)CSC(=S)N1CCCC1 |
Product Overview
Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate (CAS 852399-75-8), with molecular formula C8H13NO2S2 and molecular weight 219.04 g/mol. IUPAC: methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate.
Chemical Property Profile of Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate
Property Insights of Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate
The XLogP value of 1.2733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate. With a topological polar surface area (TPSA) of 29.54 Ų, Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate 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 2-(pyrrolidine-1-carbothioylsulfanyl)acetate?
The CAS number of Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate is 852399-75-8.
What is the molecular formula of Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate?
The molecular formula of Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate is C8H13NO2S2.
What is the molecular weight of Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate?
The molecular weight of Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate is 219.04 g/mol.
Where can I buy Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate?
You can request a quote for Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(pyrrolidine-1-carbothioylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.