(E)-3-(Methylthiomethylene)pyrrolidine-2-thione
TL;DR: (E)-3-(Methylthiomethylene)pyrrolidine-2-thione (CAS 148225-27-8) is a chemical compound with molecular formula C6H9NS2 and molecular weight 159.01764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-3-(methylsulfanylmethylidene)pyrrolidine-2-thione
Also Known As: (Z)-Raphanusanin, 3-(methylthio)methylene-2-pyrrolidinethione, (E)-3-(Methylthiomethylene)pyrrolidine-2-thione, 3-(e)-(methylthio)methylene-2-pyrrolidinethione, (3E)-3-(methylsulfanylmethylidene)pyrrolidine-2-thione
Technical Specifications
| Molecular Formula | C6H9NS2 |
| Molecular Weight | 159.01764 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.01764 Da |
| Heavy Atoms | 9 |
| Complexity | 151.0 |
| SMILES | CS/C=C/1\CCNC1=S |
| InChIKey | BVYUPEKENRMVJK-SNAWJCMRSA-N |
Chemical Property Profile of (E)-3-(Methylthiomethylene)pyrrolidine-2-thione
Property Insights of (E)-3-(Methylthiomethylene)pyrrolidine-2-thione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(Methylthiomethylene)pyrrolidine-2-thione. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(Methylthiomethylene)pyrrolidine-2-thione. Following Lipinski's Rule of Five, (E)-3-(Methylthiomethylene)pyrrolidine-2-thione has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-3-(Methylthiomethylene)pyrrolidine-2-thione?
The CAS number of (E)-3-(Methylthiomethylene)pyrrolidine-2-thione is 148225-27-8.
What is the molecular formula of (E)-3-(Methylthiomethylene)pyrrolidine-2-thione?
The molecular formula of (E)-3-(Methylthiomethylene)pyrrolidine-2-thione is C6H9NS2.
What is the molecular weight of (E)-3-(Methylthiomethylene)pyrrolidine-2-thione?
The molecular weight of (E)-3-(Methylthiomethylene)pyrrolidine-2-thione is 159.01764 g/mol.
Where can I buy (E)-3-(Methylthiomethylene)pyrrolidine-2-thione?
You can request a quote for (E)-3-(Methylthiomethylene)pyrrolidine-2-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(Methylthiomethylene)pyrrolidine-2-thione?
Yes, CoreyChem provides custom synthesis services for (E)-3-(Methylthiomethylene)pyrrolidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.