正丁基2-咪唑基二硫醚
TL;DR: 正丁基2-咪唑基二硫醚 (CAS 141400-57-9) is a chemical compound with molecular formula CCCCSSC1=NC=CN1 and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
正丁基2-咪唑基二硫醚
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
| Molecular Formula | CCCCSSC1=NC=CN1 |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.04419 |
| Heavy Atoms | 11 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 141400-57-9 |
|---|---|
| SMILES | CCCCSSC1=NC=CN1 |
| InChIKey | SBXVGBRRYUGRRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
正丁基2-咪唑基二硫醚 (CAS 141400-57-9), with molecular formula CCCCSSC1=NC=CN1 and molecular weight 188.04 g/mol. IUPAC: 2-(butyldisulfanyl)-1H-imidazole.
Chemical Property Profile of 正丁基2-咪唑基二硫醚
Property Insights of 正丁基2-咪唑基二硫醚
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 正丁基2-咪唑基二硫醚. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 正丁基2-咪唑基二硫醚. Following Lipinski's Rule of Five, 正丁基2-咪唑基二硫醚 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
Frequently Asked Questions
What is the CAS number of 正丁基2-咪唑基二硫醚?
The CAS number of 正丁基2-咪唑基二硫醚 is 141400-57-9.
What is the molecular formula of 正丁基2-咪唑基二硫醚?
The molecular formula of 正丁基2-咪唑基二硫醚 is CCCCSSC1=NC=CN1.
What is the molecular weight of 正丁基2-咪唑基二硫醚?
The molecular weight of 正丁基2-咪唑基二硫醚 is 188.04 g/mol.
Where can I buy 正丁基2-咪唑基二硫醚?
You can request a quote for 正丁基2-咪唑基二硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 正丁基2-咪唑基二硫醚?
Yes, KEHONG BIO provides custom synthesis services for 正丁基2-咪唑基二硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.