4-Methyl-5-(((phenylmethyl)thio)methyl)-1H-imidazole (Z)-2-butenedioate (1:1)

Base Information

• Chemical Name: 4-Methyl-5-(((phenylmethyl)thio)methyl)-1H-imidazole (Z)-2-butenedioate (1:1)
• CAS No.: 131028-56-3
• Molecular Formula: C16H18N2O4S
• Molecular Weight: 334.3901
• Mol file: 131028-56-3.mol

Synonyms:4-Methyl-5-(((phenylmethyl)thio)methyl)-1H-imidazole (Z)-2-butenedioate (1:1);5-Methyl-4-(benzylthiomethyl)-1H-imidazole hydrogen maleate;1H-Imidazole, 4-methyl-5-(((phenylmethyl)thio)methyl)-, (Z)-2-butenedioate (1:1);131028-56-3;C12H14N2S.C4H4O4;LS-78815;C12-H14-N2-S.C4-H4-O4

Chemical Property of 4-Methyl-5-(((phenylmethyl)thio)methyl)-1H-imidazole (Z)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 3.25E-07mmHg at 25°C
• Boiling Point: 430.5°C at 760 mmHg
• Flash Point: 214.2°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 334.09872823
• Heavy Atom Count: 23
• Complexity: 299

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=CN1)CSCC2=CC=CC=C2.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC1=C(N=CN1)CSCC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O