1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1)
TL;DR: 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1) (CAS 131028-56-3) is a chemical compound with molecular formula C16H18N2O4S and molecular weight 334.09872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(benzylsulfanylmethyl)-5-methyl-1H-imidazole;(E)-but-2-enedioic acid
Also Known As: 5-Methyl-4-(benzylthiomethyl)-1H-imidazole hydrogen maleate, 4-Methyl-5-(((phenylmethyl)thio)methyl)-1H-imidazole (Z)-2-butenedioate (1:1), 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1), 4-(benzylsulfanylmethyl)-5-methyl-1H-imidazole; (E)-but-2-enedioic acid
Technical Specifications
| Molecular Formula | C16H18N2O4S |
| Molecular Weight | 334.09872 g/mol |
| XLogP | 2.86332 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.09872 Da |
| Heavy Atoms | 23 |
| Complexity | 299.0 |
| SMILES | CC1=C(N=CN1)CSCC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O |
| InChIKey | LJDFNRQNBTVCTH-WLHGVMLRSA-N |
Chemical Property Profile of 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1)
Property Insights of 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1)
The XLogP value of 2.86332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1). The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1) has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1)?
The CAS number of 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1) is 131028-56-3.
What is the molecular formula of 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1)?
The molecular formula of 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1) is C16H18N2O4S.
What is the molecular weight of 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1)?
The molecular weight of 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1) is 334.09872 g/mol.
Where can I buy 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1)?
You can request a quote for 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1)?
Yes, CoreyChem provides custom synthesis services for 1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.