2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole
TL;DR: 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole (CAS 62059-38-5) is a chemical compound with molecular formula C7H14N2S and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-4,5-dihydro-1H-imidazole
Also Known As: 2-(Butylthio)-4,5-dihydro-1H-imidazole, 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole, 2-n-Butylmercapto-2-imidazoline, 2-butylsulfanyl-4,5-dihydro-1H-imidazole, 1H-Imidazole, 2-(butylthio)-4,5-dihydro-
| Molecular Formula | C7H14N2S |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.08777 |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 62059-38-5 |
|---|---|
| SMILES | CCCCSC1=NCCN1 |
| InChIKey | IECYSNCSCGTHHH-UHFFFAOYSA-N |
Product Overview
2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole (CAS 62059-38-5), with molecular formula C7H14N2S and molecular weight 158.09 g/mol. IUPAC: 2-butylsulfanyl-4,5-dihydro-1H-imidazole.
Chemical Property Profile of 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole
Property Insights of 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole. With a topological polar surface area (TPSA) of 49.7 Ų, 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole has 1 hydrogen bond donor(s) and 2 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 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole?
The CAS number of 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole is 62059-38-5.
What is the molecular formula of 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole?
The molecular formula of 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole is C7H14N2S.
What is the molecular weight of 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole?
The molecular weight of 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole is 158.09 g/mol.
Where can I buy 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole?
You can request a quote for 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.