8-chloro-4-[(2,4-di...

8-chloro-4-[(2,4-dichlorobenzyl)sulfanyl]cinnoline 5388-41-0

8-chloro-4-[(2,4-dichlorobenzyl)sulfanyl]cinnoline 5388-41-0

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1 Gram

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Keywords

8-chloro-4-[(2,4-dichlorophenyl)methylsulfanyl]cinnoline 5388-41-0 C15H9Cl3N2S

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
8-chloro-4-[(2,4-dichlorobenzyl)sulfanyl]cinnoline
【CAS Registry number】
5388-41-0
【Synonyms】
8-chloro-4-[(2,4-dichlorobenzyl)sulfanyl]cinnoline
NSC77851
AC1L5PII
AC1Q3N10
AR-1H4484
NSC-77851
8-chloro-4-[(2,4-dichlorophenyl)methylsulfanyl]cinnoline
【Molecular Formula】
C15H9Cl3N2S (Products with the same molecular formula)
【Molecular Weight】
355.6694
【Inchi】
InChI=1/C15H9Cl3N2S/c16-10-5-4-9(13(18)6-10)8-21-14-7-19-20-15-11(14)2-1-3-12(15)17/h1-7H,8H2
【Canonical SMILES】
C1=CC2=C(C(=C1)Cl)N=NC=C2SCC3=C(C=C(C=C3)Cl)Cl
【MOL File】
5388-41-0.mol
Chemical and Physical Properties
【Density】
1.52g/cm3
【Boiling Point】
518.2°C at 760 mmHg
【Refractive Index】
1.716
【Flash Point】
267.2°C
【Computed Properties】
Molecular Weight:355.66936 [g/mol]
Molecular Formula:C15H9Cl3N2S
XLogP3-AA:5.1
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:3
Exact Mass:353.955202
MonoIsotopic Mass:353.955202
Topological Polar Surface Area:51.1
Heavy Atom Count:21
Formal Charge:0
Complexity:347
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Ring Count:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:29

 

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