4-{5-[(Z)-(2-Amino-4-Oxo-1,3-Thiazol-5(4H)-Ylidene)Methyl]-2-Furyl}Benzoic Acid

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Properties Simple | Detailed

Formula C15H10N2O4S
IUPAC Name 4-[5-[(z)-(2-imino-4-oxo-thiazolidin-5-ylidene)methyl]-2-furyl]benzoic acid
Molecular Mass 314.316 g·mol−1
Heat of Formation -314.5 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 337.92 Å 3
Surface Area 312.24 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 1.21 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-[5-[(z)-(2-amino-4-keto-thiazol-5-ylidene)methyl]-2-furyl]benzoic acid
  • 4-[5-[(z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoic acid
  • 4-[5-[(z)-(2-amino-4-oxo-5-thiazolylidene)methyl]-2-furyl]benzoic acid
  • 4-[5-[(z)-(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-furyl]benzoic acid
InChIKey JLRKRQCTYQGDKJ-GHXNOFRVSA-N
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