2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole
TL;DR: 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole (CAS 146350-96-1) is a chemical compound with molecular formula C12H16N2S and molecular weight 220.10342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butylsulfanyl-6-methyl-1H-benzimidazole
Also Known As: 2-butylthio-5-methylbenzimidazole, 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole, 2-butylsulfanyl-6-methyl-1H-benzimidazole, 2-(butylthio)-5-methyl-1H-benzo[d]imidazole, 1H-1,3-Benzimidazole, 2-(butylthio)-5-methyl-
Technical Specifications
| Molecular Formula | C12H16N2S |
| Molecular Weight | 220.10342 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.10342 Da |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
| SMILES | CCCCSC1=NC2=C(N1)C=C(C=C2)C |
| InChIKey | RUPSQLCQKZEDHW-UHFFFAOYSA-N |
Chemical Property Profile of 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole
Property Insights of 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole
The XLogP value of 3.6 indicates that 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole 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
What is the CAS number of 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole?
The CAS number of 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole is 146350-96-1.
What is the molecular formula of 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole?
The molecular formula of 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole is C12H16N2S.
What is the molecular weight of 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole?
The molecular weight of 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole is 220.10342 g/mol.
Where can I buy 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole?
You can request a quote for 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole?
Yes, CoreyChem provides custom synthesis services for 2-(butylsulfanyl)-5-methyl-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.