1,3-Dimethylimidazole-2(3H)-thione
TL;DR: 1,3-Dimethylimidazole-2(3H)-thione (CAS 6596-81-2) is a chemical compound with molecular formula C5H8N2S and molecular weight 128.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethylimidazole-2-thione
Also Known As: 1,3-dimethylimidazole-2-thione, 1,3-Dimethylimidazole-2(3H)-thione, 1,3-Dimethylimidazoline-2-thione, 1,3-dimethyl-2-imidazolethione, 2-Thioxo-1,3-dimethyl-1H-imidazole
| Molecular Formula | C5H8N2S |
|---|---|
| Molecular Weight | 128.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 38.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.04082 |
| Heavy Atoms | 8 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 6596-81-2 |
|---|---|
| SMILES | CN1C=CN(C1=S)C |
| InChIKey | ZYPLZLQKRFFKCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethylimidazole-2(3H)-thione (CAS 6596-81-2), with molecular formula C5H8N2S and molecular weight 128.04 g/mol. IUPAC: 1,3-dimethylimidazole-2-thione.
Chemical Property Profile of 1,3-Dimethylimidazole-2(3H)-thione
Property Insights of 1,3-Dimethylimidazole-2(3H)-thione
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethylimidazole-2(3H)-thione. With a topological polar surface area (TPSA) of 38.6 Ų, 1,3-Dimethylimidazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethylimidazole-2(3H)-thione has 0 hydrogen bond donor(s) and 1 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 1,3-Dimethylimidazole-2(3H)-thione?
The CAS number of 1,3-Dimethylimidazole-2(3H)-thione is 6596-81-2.
What is the molecular formula of 1,3-Dimethylimidazole-2(3H)-thione?
The molecular formula of 1,3-Dimethylimidazole-2(3H)-thione is C5H8N2S.
What is the molecular weight of 1,3-Dimethylimidazole-2(3H)-thione?
The molecular weight of 1,3-Dimethylimidazole-2(3H)-thione is 128.04 g/mol.
Where can I buy 1,3-Dimethylimidazole-2(3H)-thione?
You can request a quote for 1,3-Dimethylimidazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethylimidazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethylimidazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.