1-Pyrrolidineethanethioamide, 2-oxo-
TL;DR: 1-Pyrrolidineethanethioamide, 2-oxo- (CAS 126647-12-9) is a chemical compound with molecular formula C6H10N2OS and molecular weight 158.05139 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-oxopyrrolidin-1-yl)ethanethioamide
Also Known As: 1-Pyrrolidineethanethioamide, 2-oxo-, 1-Thiocarbamoylmethylpyrrolidone-2, 2-Oxo-1-pyrrolidineethanethioamide, 2-(2-oxopyrrolidin-1-yl)ethanethioamide, 1-thiocarbamoylpyrrolidone-2
Technical Specifications
| Molecular Formula | C6H10N2OS |
| Molecular Weight | 158.05139 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.05139 Da |
| Heavy Atoms | 10 |
| Complexity | 169.0 |
| SMILES | C1CC(=O)N(C1)CC(=S)N |
| InChIKey | XKTLQMLVNPHALN-UHFFFAOYSA-N |
Chemical Property Profile of 1-Pyrrolidineethanethioamide, 2-oxo-
Property Insights of 1-Pyrrolidineethanethioamide, 2-oxo-
The XLogP value of -0.7 indicates that 1-Pyrrolidineethanethioamide, 2-oxo- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Pyrrolidineethanethioamide, 2-oxo-. Following Lipinski's Rule of Five, 1-Pyrrolidineethanethioamide, 2-oxo- 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 1-Pyrrolidineethanethioamide, 2-oxo-?
The CAS number of 1-Pyrrolidineethanethioamide, 2-oxo- is 126647-12-9.
What is the molecular formula of 1-Pyrrolidineethanethioamide, 2-oxo-?
The molecular formula of 1-Pyrrolidineethanethioamide, 2-oxo- is C6H10N2OS.
What is the molecular weight of 1-Pyrrolidineethanethioamide, 2-oxo-?
The molecular weight of 1-Pyrrolidineethanethioamide, 2-oxo- is 158.05139 g/mol.
Where can I buy 1-Pyrrolidineethanethioamide, 2-oxo-?
You can request a quote for 1-Pyrrolidineethanethioamide, 2-oxo- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Pyrrolidineethanethioamide, 2-oxo-?
Yes, CoreyChem provides custom synthesis services for 1-Pyrrolidineethanethioamide, 2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.