4-phenyl-5,5,5-tris...

4-phenyl-5,5,5-tris(phenylsulfanyl)pentan-2-one(CAS No. 56003-68-0)

4-phenyl-5,5,5-tris(phenylsulfanyl)pentan-2-one(CAS No. 56003-68-0)

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4-phenyl-5,5,5-tris(phenylsulfanyl)pentan-2-one 56003-68-0 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
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Details:

【Name】
4-phenyl-5,5,5-tris(phenylsulfanyl)pentan-2-one
【Iupac name】
4-phenyl-5,5,5-tris(phenylsulfanyl)pentan-2-one
【CAS Registry number】
56003-68-0
【Synonyms】
NSC310534
AC1L74BB
NSC-310534
4-phenyl-5,5,5-tris(phenylsulfanyl)pentan-2-one
56003-68-0
【Molecular Formula】
C29H26OS3 (Products with the same molecular formula)
【Molecular Weight】
486.7111
【Inchi】
InChI=1/C29H26OS3/c1-23(30)22-28(24-14-6-2-7-15-24)29(31-25-16-8-3-9-17-25,32-26-18-10-4-11-19-26)33-27-20-12-5-13-21-27/h2-21,28H,22H2,1H3
【Canonical SMILES】
CC(=O)CC(C1=CC=CC=C1)C(SC2=CC=CC=C2)(SC3=CC=CC=C3)SC4=CC=CC=C4
Chemical and Physical Properties
【Density】
1.24g/cm3
【Boiling Point】
647.9°C at 760 mmHg
【Refractive Index】
1.685
【Flash Point】
262.9°C
【Computed Properties】
Molecular Weight:486.71114 [g/mol]
Molecular Formula:C29H26OS3
XLogP3-AA:8.3
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:10
Tautomer Count:3
Exact Mass:486.114578
MonoIsotopic Mass:486.114578
Topological Polar Surface Area:93
Heavy Atom Count:33
Formal Charge:0
Complexity:519
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:4
Effective Rotor Count:10
Conformer Sampling RMSD:1
CID Conformer Count:16

 

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