Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride
TL;DR: Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride (CAS 117018-92-5) is a chemical compound with molecular formula C7H14ClN3OS and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxopyrrolidin-1-yl)ethyl carbamimidothioate;hydrochloride
Also Known As: Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride, 2-(2-Oxo-1-pyrrolidinyl)ethyl carbamimidothioate hydrochloride, N-(S-beta-(Isothiuroniaethyl))-2-pyrrolidone hydrochloride, 2-(2-oxopyrrolidin-1-yl)ethyl carbamimidothioate hydrochloride, 2-(2-oxopyrrolidin-1-yl)ethyl carbamimidothioate;hydrochloride
| Molecular Formula | C7H14ClN3OS |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 0.65727 |
| Topological Polar Surface Area | 70.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.05461 |
| Heavy Atoms | 13 |
| Complexity | 200.17668 |
Chemical Identifiers
| CAS Number | 117018-92-5 |
|---|---|
| SMILES | C1CC(=O)N(C1)CCSC(=N)N.Cl |
Product Overview
Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride (CAS 117018-92-5), with molecular formula C7H14ClN3OS and molecular weight 223.05 g/mol. IUPAC: 2-(2-oxopyrrolidin-1-yl)ethyl carbamimidothioate;hydrochloride.
Chemical Property Profile of Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride
Property Insights of Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride
The XLogP value of 0.65727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride. The TPSA of 70.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride 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 Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride?
The CAS number of Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride is 117018-92-5.
What is the molecular formula of Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride?
The molecular formula of Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride is C7H14ClN3OS.
What is the molecular weight of Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride?
The molecular weight of Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride is 223.05 g/mol.
Where can I buy Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride?
You can request a quote for Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, 2-(2-oxo-1-pyrrolidinyl)ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.