N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide
TL;DR: N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide (CAS 126647-14-1) is a chemical compound with molecular formula C10H17N3S2 and molecular weight 243.0864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-(dimethylamino)ethylidene]-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
Also Known As: 1-thiocarbamoylpyrrolidone-2, N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide, 1-Pyrrolidineethanethioamide, N-(1-(dimethylamino)ethylidene)-2-thioxo-, 1-((N,N-Dimethylamino-2-ethylidene)thiocarbamidomethyl)pyrrolidine-2-thione, Ethanimidamide,N,N-dimethyl-N'-[1-thioxo-2-(2-thioxo-1-pyrrolidinyl)ethyl]-
Technical Specifications
| Molecular Formula | C10H17N3S2 |
| Molecular Weight | 243.0864 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.0864 Da |
| Heavy Atoms | 15 |
| Complexity | 297.0 |
| SMILES | CC(=NC(=S)CN1CCCC1=S)N(C)C |
| InChIKey | PKSUINQQTRCQIK-UHFFFAOYSA-N |
Chemical Property Profile of N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide
Property Insights of N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide. Following Lipinski's Rule of Five, N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide has 0 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 N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide?
The CAS number of N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide is 126647-14-1.
What is the molecular formula of N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide?
The molecular formula of N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide is C10H17N3S2.
What is the molecular weight of N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide?
The molecular weight of N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide is 243.0864 g/mol.
Where can I buy N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide?
You can request a quote for N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide?
Yes, CoreyChem provides custom synthesis services for N-(1-(Dimethylamino)ethylidene)-2-thioxo-1-pyrrolidineethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.