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  2. 1320201-22-6
2,6-Bis(trimethylstannyl)-4,8-bis(2-n-octyldodecyl)oxybenzo1,2-b:4,5-b'dithiophene | 1320201-22-6

Product name:2,6-Bis(trimethylstannyl)-4,8-bis(2-n-octyldodecyl)oxybenzo1,2-b:4,5-b'dithiophene

CAS No:1320201-22-6
MF:C56H102O2S2Sn2
MW:1108.9579
MDL:MFCD29472510
CID:2952418
PubChem ID:354333672
Names and Identifiers
  • 2,6-Bis(trimethylstannyl)-4,8-bis[(2-n-octyldodecyl)oxy]benzo[1,2-b:4,5-b']dithiophene
  • i>:4,5-<i>b<
  • B4488
  • (4,8-bis((2-octyldodecyl)oxy)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(trimethylstannane)
  • MDL:MFCD29472510
  • InChIKey:AZENTBKKKXIGMB-UHFFFAOYSA-N
  • Inchi:1S/C50H84O2S2.6CH3.2Sn/c1-5-9-13-17-21-23-27-31-35-43(33-29-25-19-15-11-7-3)41-51-47-45-37-39-54-50(45)48(46-38-40-53-49(46)47)52-42-44(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2;;;;;;;;/h37-38,43-44H,5-36,41-42H2,1-4H3;6*1H3;;
  • SMILES:[Sn](C([H])([H])[H])(C([H])([H])[H])(C([H])([H])[H])C1=C([H])C2C(=C(C3C([H])=C(SC=3C=2OC([H])([H])C([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[Sn](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])OC([H])([H])C([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])S1
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 1109g/mol
  • Surface Charge: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Rotatable Bond Count: 40
  • Monoisotopic Mass: 1108.53593g/mol
  • Monoisotopic Mass: 1110.53653g/mol
  • Topological Polar Surface Area: 74.9Ų
  • Heavy Atom Count: 62
  • Complexity: 980
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1

Experimental Properties

Security Information
  • Symbol: GHS06 GHS09
  • Hazardous Material transportation number:3146
  • Hazard Statement:H300+H310+H330-H410
  • Warning Statement:P260-P262-P264-P270-P271-P273-P280-P284-P301+P310+P330-P302+P352+P310+P361+P364-P304+P340+P310-P391-P403+P233-P405-P501
  • Prompt:dangerous
  • PackingGroup:I
  • HazardClass:6.1
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