4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide
TL;DR: 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide (CAS 131028-40-5) is a chemical compound with molecular formula C12H13ClN2S and molecular weight 252.0488 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-chlorophenyl)methylsulfanylmethyl]-5-methyl-1H-imidazole
Also Known As: 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide, AE-641/30108032, 4-[(4-chlorophenyl)methylsulfanylmethyl]-5-methyl-1H-imidazole
Technical Specifications
| Molecular Formula | C12H13ClN2S |
| Molecular Weight | 252.0488 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.0488 Da |
| Heavy Atoms | 16 |
| Complexity | 207.0 |
| SMILES | CC1=C(N=CN1)CSCC2=CC=C(C=C2)Cl |
| InChIKey | OLNROQBEBPDIFI-UHFFFAOYSA-N |
Chemical Property Profile of 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide
Property Insights of 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide
The XLogP value of 3.1 indicates that 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide 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 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide?
The CAS number of 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide is 131028-40-5.
What is the molecular formula of 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide?
The molecular formula of 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide is C12H13ClN2S.
What is the molecular weight of 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide?
The molecular weight of 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide is 252.0488 g/mol.
Where can I buy 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide?
You can request a quote for 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide?
Yes, CoreyChem provides custom synthesis services for 4-chlorobenzyl (5-methyl-1H-imidazol-4-yl)methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.