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Basic Information
CAS No.: 27870-92-4
Name: 2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
Molecular Structure:
Molecular Structure of 27870-92-4 (2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione)
Formula: N/A
Molecular Weight: 0
Synonyms: 2-Octadecyl-6H-6-thiaanthra[2,1,9-def]isoquinoline-1,3(2H)-dione;C.I.Hostasol Yellow;Einecs 248-702-8
EINECS: 248-702-8
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Chemistry


Systematic Name: 2-Octadecyl-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione
Molecular Formula: C36H45NO2S
Molecular Weight: 555.82 g/mol
Canonical SMILES: n1(c(c2ccc3c4c2c(c1=O)ccc4sc1ccccc31)=O)CCCCCCCCCCCCCCCCCC
InChI: InChI=1/C36H45NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-35(38)29-23-22-28-27-20-17-18-21-31(27)40-32-25-24-30(36(37)39)33(29)34(28)32/h17-18,20-25H,2-16,19,26H2,1H3 
EINECS: 248-702-8
XLogP3-AA: 12.8  
H-Bond Donor: 0  
H-Bond Acceptor: 2
Index of Refraction: 1.6 
Molar Refractivity: 170.03 cm3 
Molar Volume: 496.7 cm3 
Polarizability: 67.4×10-24 cm3 
Surface Tension: 47.8 dyne/cm 
Density: 1.118 g/cm3 
Flash Point: 377.1 °C 
Enthalpy of Vaporization: 102.46 kJ/mol 
Boiling Point: 699.9 °C at 760 mmHg 
Vapour Pressure of 2-Octadecyl-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione (CAS NO.27870-92-4): 1.94E-19 mmHg at 25 °C

Specification

  2-Octadecyl-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione (CAS NO.27870-92-4), its Synonyms are Solvent Yellow 98 ; 2-Octadecyl-6H-6-thiaanthra[2,1,9-def]isoquinoline-1,3(2H)-dione ; C.I.Hostasol Yellow .