(2E)-3-{3-[(1,3-Benzothiazol-2-Ylsulfanyl)Methyl]-4-Hydroxy-5-Methoxyphenyl}-2-Cyanoacrylamide

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Properties Simple | Detailed

Formula C19H15N3O3S2
IUPAC Name (e)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-prop-2-enamide
Molecular Mass 397.471 g·mol−1
Heat of Formation -57.7 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 441.41 Å 3
Surface Area 381.61 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-prop-2-enamide
  • (e)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide
  • (e)-3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide
  • (e)-3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide
  • 3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-prop-2-enamide
  • 3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide
  • 3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide
  • 4-hydroxy-3-methoxy-5-(benzothiazolylthiomethyl)benzylidenecyanoacetamide
  • ag 825
  • bcbcmap01_000031
  • bio2_000431
  • bio2_000911
  • biomolki2_000018
  • biomolki_000008
  • hsci1_000169
  • tocris-1555
InChIKey KXDONFLNGBQLTN-WUXMJOGZSA-N
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