3-[(3,4-Dichlorobenzyl)Sulfanyl]-2-Thiophenecarboxylic Acid

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Properties Simple | Detailed

Formula C12H8Cl2O2S2
IUPAC Name 3-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-2-carboxylic acid
Molecular Mass 319.227 g·mol−1
Heat of Formation -217.1 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 322.61 Å 3
Surface Area 296.3 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 10g-330s
  • 3-[(3,4-dichlorobenzyl)thio]-2-thenoic acid
  • 3-[(3,4-dichlorophenyl)methylthio]-2-thiophenecarboxylic acid
InChIKey UCHDVTOVFHVWOS-UHFFFAOYSA-N
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Elements H C S O Cl