2,2'-sulfanediylbis...

2,2'-sulfanediylbis(4-bromophenol) 5336-22-1

2,2'-sulfanediylbis(4-bromophenol) 5336-22-1

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1 Kilogram

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  • Min.Order :1 Kilogram
  • Purity: 99%
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Keywords

4-bromo-2-(5-bromo-2-hydroxy-phenyl)sulfanyl-phenol 2,2'-sulfanediylbis(4-bromophenol) 5336-22-1

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】
2,2'-sulfanediylbis(4-bromophenol)
【CAS Registry number】
5336-22-1
【Synonyms】
2,2'-Thiobis(4-bromophenol)
2,2'-Thiobis[4-bromophenol]
【Molecular Formula】
C12H8Br2O2S (Products with the same molecular formula)
【Molecular Weight】
376.0637
【Inchi】
InChI=1/C12H8Br2O2S/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6,15-16H
【InChIKey】
HQRWNPFVXNLBJX-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=C(C=C1Br)SC2=C(C=CC(=C2)Br)O)O
【MOL File】
5336-22-1.mol
Chemical and Physical Properties
【Density】
2.03g/cm3
【Boiling Point】
434.7°C at 760 mmHg
【Refractive Index】
1.787
【Flash Point】
216.7°C
【Computed Properties】
Molecular Weight:376.06372 [g/mol]
Molecular Formula:C12H8Br2O2S
XLogP3-AA:4.7
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:5
Exact Mass:375.859129
MonoIsotopic Mass:373.861175
Topological Polar Surface Area:65.8
Heavy Atom Count:17
Formal Charge:0
Complexity:231
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 Donor Count:2
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:12

 

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