3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1)
TL;DR: 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1) (CAS 117018-93-6) is a chemical compound with molecular formula C8H16ClN3OS and molecular weight 237.07027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-oxopyrrolidin-1-yl)propyl carbamimidothioate;hydrochloride
Also Known As: 3-(2-Oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride, N-(S-gamma-(Isothiuroniapropyl))-2-pyrrolidone hydrochloride, Carbamimidothioic acid, 3-(2-oxo-1-pyrrolidinyl)propyl ester, monohydrochloride, 3-(2-oxopyrrolidin-1-yl)propyl carbamimidothioate hydrochloride, 3-(2-oxopyrrolidin-1-yl)propyl carbamimidothioate,hydrochloride
Technical Specifications
| Molecular Formula | C8H16ClN3OS |
| Molecular Weight | 237.07027 g/mol |
| XLogP | 1.04737 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.07027 Da |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
| SMILES | C1CC(=O)N(C1)CCCSC(=N)N.Cl |
| InChIKey | YIEIDOKYKXJIKA-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1)
Property Insights of 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1)
The XLogP value of 1.04737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1). The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1) has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1)?
The CAS number of 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1) is 117018-93-6.
What is the molecular formula of 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1)?
The molecular formula of 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1) is C8H16ClN3OS.
What is the molecular weight of 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1)?
The molecular weight of 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1) is 237.07027 g/mol.
Where can I buy 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1)?
You can request a quote for 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for 3-(2-Oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.