2-Octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione

Base Information

• Chemical Name: 2-Octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
• CAS No.: 12671-74-8
• Molecular Formula: C36H45NO2S
• Molecular Weight: 555.81
• European Community (EC) Number: 248-702-8,603-155-8
• DSSTox Substance ID: DTXSID9065314
• Nikkaji Number: J250.605J
• Wikidata: Q72508546
• Mol file: 12671-74-8.mol

Synonyms:12671-74-8;Solvent Yellow 98;Fluorescent Yellow 3G;2-Octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione;EINECS 248-702-8;27870-92-4;C36H45NO2S;EC 248-702-8;14-octadecyl-8-thia-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione;C36-H45-N-O2-S;1H-Thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione, 2-octadecyl-;1H-Thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 2-octadecyl-;2-Octadecyl-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione;C.I. Solvent Yellow 98;SCHEMBL559250;DTXSID9065314;C.I. FLUORESCENT YELLOW 3G;MFCD00144314;1H-Thioxantheno[2,1,9-def] isoquinoline-1,3(2H)-dione, 2-octadecyl-;AKOS022185035;C.I.56238;A926743;2-octadecyl-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione

Chemical Property of 2-Octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione

Chemical Property:

• Appearance/Colour: Greenish yellow
• Vapor Pressure: 1.94E-19mmHg at 25°C
• Refractive Index: 1.6
• Boiling Point: 699.9 °C at 760 mmHg
• PKA: -2.44±0.20(Predicted)
• Flash Point: 377.1 °C
• PSA: 67.31000
• Density: 1.118 g/cm³
• LogP: 10.58210
• XLogP3: 12.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 555.31710085
• Heavy Atom Count: 40
• Complexity: 800

Purity/Quality:

99% ^*data from raw suppliers

2-Octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=CC=CC=C5S4)C1=O
• Uses: Solvent Yellow 98 is an organic dye and a component of photopolymer resins for luminescent three-dimensional printing.