4-methyl-1H-imidazole-2-thiol
TL;DR: 4-methyl-1H-imidazole-2-thiol (CAS 3247-70-9) is a chemical compound with molecular formula C4H6N2S and molecular weight 114.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1,3-dihydroimidazole-2-thione
Also Known As: 4-Methyl-1H-imidazole-2-thiol, 2-mercapto-4-methylimidazole, N-Methyl-2-thioimidazole, methyl mercaptoimidazole, 4-methyl-1,3-dihydroimidazole-2-thione
| Molecular Formula | C4H6N2S |
|---|---|
| Molecular Weight | 114.03 g/mol |
| LogP | 1.38071 |
| Topological Polar Surface Area | 31.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.02517 |
| Heavy Atoms | 7 |
| Complexity | 197.45476 |
Chemical Identifiers
| CAS Number | 3247-70-9 |
|---|---|
| SMILES | CC1=CNC(=S)N1 |
Product Overview
4-methyl-1H-imidazole-2-thiol (CAS 3247-70-9), with molecular formula C4H6N2S and molecular weight 114.03 g/mol. IUPAC: 4-methyl-1,3-dihydroimidazole-2-thione.
Chemical Property Profile of 4-methyl-1H-imidazole-2-thiol
Property Insights of 4-methyl-1H-imidazole-2-thiol
The XLogP value of 1.38071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-1H-imidazole-2-thiol. With a topological polar surface area (TPSA) of 31.58 Ų, 4-methyl-1H-imidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-1H-imidazole-2-thiol has 2 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 4-methyl-1H-imidazole-2-thiol?
The CAS number of 4-methyl-1H-imidazole-2-thiol is 3247-70-9.
What is the molecular formula of 4-methyl-1H-imidazole-2-thiol?
The molecular formula of 4-methyl-1H-imidazole-2-thiol is C4H6N2S.
What is the molecular weight of 4-methyl-1H-imidazole-2-thiol?
The molecular weight of 4-methyl-1H-imidazole-2-thiol is 114.03 g/mol.
Where can I buy 4-methyl-1H-imidazole-2-thiol?
You can request a quote for 4-methyl-1H-imidazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-1H-imidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-1H-imidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.