2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid
TL;DR: 2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid (CAS 1801-63-4) is a chemical compound with molecular formula C6H8N2O3S and molecular weight 188.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetic acid
Also Known As: Mth-DL-aspartic acid, 2-(1-METHYL-5-OXO-2-THIOXOIMIDAZOLIDIN-4-YL)ACETIC ACID, 2-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetic acid, NCI60_004805, (1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl)-acetic acid
| Molecular Formula | C6H8N2O3S |
|---|---|
| Molecular Weight | 188.03 g/mol |
| LogP | -0.8238 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.02556 |
| Heavy Atoms | 12 |
| Complexity | 251.17775 |
Chemical Identifiers
| CAS Number | 1801-63-4 |
|---|---|
| SMILES | CN1C(=O)C(NC1=S)CC(=O)O |
Product Overview
2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid (CAS 1801-63-4), with molecular formula C6H8N2O3S and molecular weight 188.03 g/mol. IUPAC: 2-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetic acid.
Chemical Property Profile of 2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid
Property Insights of 2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid
The XLogP value of -0.8238 indicates that 2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid. Following Lipinski's Rule of Five, 2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid 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-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid?
The CAS number of 2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid is 1801-63-4.
What is the molecular formula of 2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid?
The molecular formula of 2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid is C6H8N2O3S.
What is the molecular weight of 2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid?
The molecular weight of 2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid is 188.03 g/mol.
Where can I buy 2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid?
You can request a quote for 2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.