3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one

Base Information

• Chemical Name: 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one
• CAS No.: 5540-82-9
• Molecular Formula: C15H20N2O2S
• Molecular Weight: 292.3965
• NSC Number: 89530
• DSSTox Substance ID: DTXSID40388359
• Mol file: 5540-82-9.mol

Synonyms:5540-82-9;NSC89530;3-(4-pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one;DTXSID40388359;NSC-89530;3-(4-pentoxyphenyl)-2-thioxo-hexahydropyrimidin-4-one;4(1H)-Pyrimidinone, tetrahydro-3-[4-(pentyloxy)phenyl]-2-thioxo-

Chemical Property of 3-(4-Pentoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one

Chemical Property:

• Vapor Pressure: 1.72E-07mmHg at 25°C
• Boiling Point: 426.8°Cat760mmHg
• Flash Point: 211.9°C
• Density: 1.21g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 292.12454906
• Heavy Atom Count: 20
• Complexity: 341

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC1=CC=C(C=C1)N2C(=O)CCNC2=S