(2E)-3-(4-Chlorophenyl)-2-Sulfanylacrylic Acid

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Properties Simple | Detailed

Formula C9H7ClO2S
IUPAC Name (e)-3-(4-chlorophenyl)-2-sulfanyl-prop-2-enoic acid
Molecular Mass 214.669 g·mol−1
Heat of Formation -247.1 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 233.68 Å 3
Surface Area 221.64 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-chlorophenyl)-2-mercapto-acrylic acid
  • (e)-3-(4-chlorophenyl)-2-mercaptoprop-2-enoic acid
  • (e)-3-(4-chlorophenyl)-2-sulfanyl-prop-2-enoic acid
  • (e)-3-(4-chlorophenyl)-2-sulfanylprop-2-enoic acid
  • bim-0023844.p001
CAS Number(s)
  • 5765-76-4
InChIKey VYZXSVKKNPHGGV-VMPITWQZSA-N
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Elements H C S O Cl