(Z)-1-N-methyl-1-N'-[2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methylsulfonyl]ethyl]-2-nitroethene-1,1-diamine

Base Information

• Chemical Name: (Z)-1-N-methyl-1-N'-[2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methylsulfonyl]ethyl]-2-nitroethene-1,1-diamine
• CAS No.: 129927-19-1
• Molecular Formula: C11H19 N5 O4 S2
• Molecular Weight: 349.42966
• Mol file: 129927-19-1.mol

Synonyms:nizatidine sulfoxide

Chemical Property of (Z)-1-N-methyl-1-N'-[2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methylsulfonyl]ethyl]-2-nitroethene-1,1-diamine

Chemical Property:

• Vapor Pressure: 3.95E-14mmHg at 25°C
• Boiling Point: 595.1°Cat760mmHg
• Flash Point: 313.7°C
• PSA: 165.56000
• Density: 1.357g/cm³
• LogP: 2.43860
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 349.08784645
• Heavy Atom Count: 22
• Complexity: 486

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=NC(=CS1)CS(=O)(=O)CCNC(=C[N+](=O)[O-])NC
• Isomeric SMILES: CNCC1=NC(=CS1)CS(=O)(=O)CCN/C(=C\[N+](=O)[O-])/NC