4,5-Dimethylthiazole
TL;DR: 4,5-Dimethylthiazole (CAS 3581-91-7) is a chemical compound with molecular formula C5H7NS and molecular weight 113.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-1,3-thiazole
Also Known As: 4,5-DIMETHYLTHIAZOLE, 4,5-Dimethyl-1,3-thiazole, Thiazole, 4,5-dimethyl-, null, 4,5-dimethyl thiazole
| Molecular Formula | C5H7NS |
|---|---|
| Molecular Weight | 113.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.02992 |
| Heavy Atoms | 7 |
| Complexity | 65.0 |
| Melting Point | 83 - 84 °C |
| Boiling Point | 157.00 to 159.00 °C. @ 760.00 mm Hg |
| Density | 1.067-1.072 |
| Solubility | Soluble in ether |
| Refractive Index | 1.516-1.524 |
Chemical Identifiers
| CAS Number | 3581-91-7 |
|---|---|
| SMILES | CC1=C(SC=N1)C |
| InChIKey | UWSONZCNXUSTKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dimethylthiazole (CAS 3581-91-7), with molecular formula C5H7NS and molecular weight 113.03 g/mol. IUPAC: 4,5-dimethyl-1,3-thiazole.
Chemical Property Profile of 4,5-Dimethylthiazole
Property Insights of 4,5-Dimethylthiazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethylthiazole. With a topological polar surface area (TPSA) of 41.1 Ų, 4,5-Dimethylthiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethylthiazole has 0 hydrogen bond donor(s) and 2 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 4,5-Dimethylthiazole?
The CAS number of 4,5-Dimethylthiazole is 3581-91-7.
What is the molecular formula of 4,5-Dimethylthiazole?
The molecular formula of 4,5-Dimethylthiazole is C5H7NS.
What is the molecular weight of 4,5-Dimethylthiazole?
The molecular weight of 4,5-Dimethylthiazole is 113.03 g/mol.
Where can I buy 4,5-Dimethylthiazole?
You can request a quote for 4,5-Dimethylthiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethylthiazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethylthiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.