N,N-Dimethylthiomuscimol
TL;DR: N,N-Dimethylthiomuscimol (CAS 89736-77-6) is a chemical compound with molecular formula CN(C)CC1=CC(=O)NS1 and molecular weight 158.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(dimethylamino)methyl]-1,2-thiazol-3-one
Also Known As: N,N-Dimethylthiomuscimol, 3(2H)-Isothiazolone, 5-((dimethylamino)methyl)-, 5-[(dimethylamino)methyl]-1,2-thiazol-3-one, 5-(dimethylaminomethyl)-1,2-thiazol-3-one, 5-[(dimethylamino)methyl]-1,2-thiazol-3(2h)-one
| Molecular Formula | CN(C)CC1=CC(=O)NS1 |
|---|---|
| Molecular Weight | 158.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.05139 |
| Heavy Atoms | 10 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 89736-77-6 |
|---|---|
| SMILES | CN(C)CC1=CC(=O)NS1 |
| InChIKey | ZKXUAGBKHWKZNP-UHFFFAOYSA-N |
Product Overview
N,N-Dimethylthiomuscimol (CAS 89736-77-6), with molecular formula CN(C)CC1=CC(=O)NS1 and molecular weight 158.05 g/mol. IUPAC: 5-[(dimethylamino)methyl]-1,2-thiazol-3-one.
Chemical Property Profile of N,N-Dimethylthiomuscimol
Property Insights of N,N-Dimethylthiomuscimol
The XLogP value of -0.3 indicates that N,N-Dimethylthiomuscimol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.6 Ų, N,N-Dimethylthiomuscimol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dimethylthiomuscimol has 1 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 N,N-Dimethylthiomuscimol?
The CAS number of N,N-Dimethylthiomuscimol is 89736-77-6.
What is the molecular formula of N,N-Dimethylthiomuscimol?
The molecular formula of N,N-Dimethylthiomuscimol is CN(C)CC1=CC(=O)NS1.
What is the molecular weight of N,N-Dimethylthiomuscimol?
The molecular weight of N,N-Dimethylthiomuscimol is 158.05 g/mol.
Where can I buy N,N-Dimethylthiomuscimol?
You can request a quote for N,N-Dimethylthiomuscimol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethylthiomuscimol?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethylthiomuscimol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.