Ethyl 4-[(1Z)-2-(4,4-Dimethyl-3,4-Dihydro-2H-Thiochromen-6-Yl)-1-Propen-1-Yl]Benzoate

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Properties Simple | Detailed

Formula C23H26O2S
IUPAC Name ethyl 4-[(z)-2-(4,4-dimethylthiochroman-6-yl)prop-1-enyl]benzoate
Molecular Mass 366.516 g·mol−1
Heat of Formation -275.0 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 466.17 Å 3
Surface Area 366.93 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(z)-2-(4,4-dimethyl-6-thiochromanyl)prop-1-enyl]benzoic acid ethyl ester
  • 4-[(z)-2-(4,4-dimethylthiochroman-6-yl)prop-1-enyl]benzoic acid ethyl ester
  • edtcpb
  • ethyl 4-(2-(4,4-dimethylthiochroman-6-yl)propenyl)benzoate
  • ethyl 4-[(z)-2-(4,4-dimethylthiochroman-6-yl)prop-1-enyl]benzoate
CAS Number(s)
  • 88579-35-5
InChIKey YWQVMUBBTCKAMA-PEZBUJJGSA-N
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