2-Methyl-5H-benzo(g)-1,3,4-thiadiazolo(2,3-b)quinazolin-5-one

Base Information

• Chemical Name: 2-Methyl-5H-benzo(g)-1,3,4-thiadiazolo(2,3-b)quinazolin-5-one
• CAS No.: 82828-62-4
• Molecular Formula: C14H9N3OS
• Molecular Weight: 267.31
• DSSTox Substance ID: DTXSID90232015
• Wikidata: Q83113043
• Mol file: 82828-62-4.mol

Synonyms:2-Methyl-5H-benzo(g)-1,3,4-thiadiazolo(2,3-b)quinazolin-5-one;82828-62-4;5H-Benzo(g)-1,3,4-thiadiazolo(2,3-b)quinazolin-5-one, 2-methyl-;C14H9N3OS;DTXSID90232015;C14-H9-N3-O-S;LS-40497

Chemical Property of 2-Methyl-5H-benzo(g)-1,3,4-thiadiazolo(2,3-b)quinazolin-5-one

Chemical Property:

• Vapor Pressure: 4.19E-09mmHg at 25°C
• Melting Point: 260-262 °C(Solv: N,N-dimethylformamide (68-12-2))
• Boiling Point: 472.7°C at 760 mmHg
• PKA: -3.18±0.40(Predicted)
• Flash Point: 239.7°C
• PSA: 75.50000
• Density: 1.52g/cm³
• LogP: 2.76580
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 267.04663309
• Heavy Atom Count: 19
• Complexity: 487

Purity/Quality:

2-METHYL-5H-BENZO(G)-1,3,4-THIADIAZOLO(2,3-B)QUINAZOLIN-5-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN2C(=O)C3=CC4=CC=CC=C4C=C3N=C2S1

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