2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride
TL;DR: 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride (CAS 117018-94-7) is a chemical compound with molecular formula C9H18ClN3OS and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl] carbamimidothioate;hydrochloride
Also Known As: 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride, Carbamimidothioic acid, 2-methyl-2-(2-oxo-1-pyrrolidinyl)propyl ester, monohydrochloride, N-(1,1-Dimethyl-2-S-isothiuroniaethyl)-2-pyrrolidone hydrochloride, [2-methyl-2-(2-oxopyrrolidin-1-yl)propyl] carbamimidothioate hydrochloride, 2-Methyl-2-(2-oxopyrrolidin-1-yl)propyl carbamimidothioate--hydrogen chloride (1/1)
| Molecular Formula | C9H18ClN3OS |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 1.43587 |
| Topological Polar Surface Area | 70.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.0859 |
| Heavy Atoms | 15 |
| Complexity | 257.742 |
Chemical Identifiers
| CAS Number | 117018-94-7 |
|---|---|
| SMILES | CC(C)(CSC(=N)N)N1CCCC1=O.Cl |
Product Overview
2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride (CAS 117018-94-7), with molecular formula C9H18ClN3OS and molecular weight 251.09 g/mol. IUPAC: [2-methyl-2-(2-oxopyrrolidin-1-yl)propyl] carbamimidothioate;hydrochloride.
Chemical Property Profile of 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride
Property Insights of 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride
The XLogP value of 1.43587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride. The TPSA of 70.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride. Following Lipinski's Rule of Five, 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride has 2 hydrogen bond donor(s) and 3 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 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride?
The CAS number of 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride is 117018-94-7.
What is the molecular formula of 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride?
The molecular formula of 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride is C9H18ClN3OS.
What is the molecular weight of 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride?
The molecular weight of 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride is 251.09 g/mol.
Where can I buy 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride?
You can request a quote for 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-(2-oxo-1-pyrrolidinyl)propyl carbamimidothioate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.