3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 4-(4-(methylthio)phenyl)-3-butenyl ester

Base Information

• Chemical Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 4-(4-(methylthio)phenyl)-3-butenyl ester
• CAS No.: 102106-31-0
• Molecular Formula: C27H28 N2 O6 S
• Molecular Weight: 508.586
• Mol file: 102106-31-0.mol

Synonyms:102106-31-0;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 4-(4-(methylthio)phenyl)-3-butenyl ester;SCHEMBL9712736;LS-131296

Chemical Property of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 4-(4-(methylthio)phenyl)-3-butenyl ester

Chemical Property:

• Vapor Pressure: 3.27E-18mmHg at 25°C
• Boiling Point: 677.5°Cat760mmHg
• Flash Point: 363.5°C
• Density: 1.29g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 508.16680779
• Heavy Atom Count: 36
• Complexity: 914

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCC=CC2=CC=C(C=C2)SC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
• Isomeric SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCC/C=C/C2=CC=C(C=C2)SC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC