Vat Brown 5

Base Information

• Chemical Name: Vat Brown 5
• CAS No.: 3989-75-1
• Molecular Formula: C24H12 O2 S2
• Molecular Weight: 396.48088
• European Community (EC) Number: 223-633-6
• Mol file: 3989-75-1.mol

Synonyms:C24H12O2S2;C24-H12-O2-S2;3989-75-1;[.delta.2,2'(1H,1'H)-Binaphtho[2,1-b]thiophene]-1,1'-dione;A824205;(2Z)-2-(1-oxo-2-benzo[e][1]benzothiolylidene)-1-benzo[e][1]benzothiolone;(2Z)-2-(1-oxidanylidenebenzo[e][1]benzothiol-2-ylidene)benzo[e][1]benzothiol-1-one

Chemical Property of Vat Brown 5

Chemical Property:

• Vapor Pressure: 2.96E-13mmHg at 25°C
• Boiling Point: 575.7°Cat760mmHg
• Flash Point: 248.3°C
• PSA: 84.74000
• Density: 1.523g/cm³
• LogP: 6.48160
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 396.02787197
• Heavy Atom Count: 28
• Complexity: 668

Purity/Quality:

99% ^*data from raw suppliers

CALCOLOID BROWN RRP 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=C4C(=O)C5=C(S4)C=CC6=CC=CC=C65)S3
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC3=C2C(=O)/C(=C/4\C(=O)C5=C(S4)C=CC6=CC=CC=C65)/S3