3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol
TL;DR: 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol (CAS 115906-34-8) is a chemical compound with molecular formula C7H11N3O4S and molecular weight 233.04703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propane-1,2-diol
Also Known As: BAS 00327531, 3-(2-methyl-4-nitroimidazol-5-ylthio)propane-1,2-diol, 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol, 3-[(2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]propane-1,2-diol, 3-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)propane-1,2-diol
Technical Specifications
| Molecular Formula | C7H11N3O4S |
| Molecular Weight | 233.04703 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.04703 Da |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
| SMILES | CC1=NC(=C(N1)[N+](=O)[O-])SCC(CO)O |
| InChIKey | AWINWOPSZIVRLW-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol
Property Insights of 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol. The TPSA of 140.0 Ų indicates high polarity, suggesting 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol?
The CAS number of 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol is 115906-34-8.
What is the molecular formula of 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol?
The molecular formula of 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol is C7H11N3O4S.
What is the molecular weight of 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol?
The molecular weight of 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol is 233.04703 g/mol.
Where can I buy 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol?
You can request a quote for 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol?
Yes, CoreyChem provides custom synthesis services for 3-(2-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-propane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.