n-Butyl 2-imidazolyl disulfide
TL;DR: n-Butyl 2-imidazolyl disulfide (CAS 141400-57-9) is a chemical compound with molecular formula CCCCSSC1=NC=CN1 and molecular weight 188.04419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(butyldisulfanyl)-1H-imidazole
Also Known As: III-2 Disulfide, n-Butyl 2-imidazolyl disulfide, 2-(butyldisulfanyl)-1H-imidazole, n-butyl2-imidazolyldisulfide, 2-(Butyldithio)-1H-imidazole
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CCCCSSC1=NC=CN1 |
| Molecular Weight | 188.04419 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.04419 Da |
| Heavy Atoms | 11 |
| Complexity | 100.0 |
| SMILES | CCCCSSC1=NC=CN1 |
| InChIKey | SBXVGBRRYUGRRZ-UHFFFAOYSA-N |
Chemical Property Profile of n-Butyl 2-imidazolyl disulfide
Property Insights of n-Butyl 2-imidazolyl disulfide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Butyl 2-imidazolyl disulfide. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Butyl 2-imidazolyl disulfide. Following Lipinski's Rule of Five, n-Butyl 2-imidazolyl disulfide 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
What is the CAS number of n-Butyl 2-imidazolyl disulfide?
The CAS number of n-Butyl 2-imidazolyl disulfide is 141400-57-9.
What is the molecular formula of n-Butyl 2-imidazolyl disulfide?
The molecular formula of n-Butyl 2-imidazolyl disulfide is CCCCSSC1=NC=CN1.
What is the molecular weight of n-Butyl 2-imidazolyl disulfide?
The molecular weight of n-Butyl 2-imidazolyl disulfide is 188.04419 g/mol.
Where can I buy n-Butyl 2-imidazolyl disulfide?
You can request a quote for n-Butyl 2-imidazolyl disulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for n-Butyl 2-imidazolyl disulfide?
Yes, CoreyChem provides custom synthesis services for n-Butyl 2-imidazolyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.