N-(3-Buten-1-Yl)-5-(4-Chlorophenyl)-6H-1,3,4-Thiadiazin-2-Amine

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Properties Simple | Detailed

Formula C13H14ClN3S
IUPAC Name n-but-3-enyl-5-(4-chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
Molecular Mass 279.788 g·mol−1
Heat of Formation 328.1 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 327.29 Å 3
Surface Area 306.85 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • but-3-enyl-[5-(4-chlorophenyl)-6h-1,3,4-thiadiazin-2-yl]amine
  • n-but-3-enyl-5-(4-chlorophenyl)-6h-1,3,4-thiadiazin-2-amine
InChIKey ZVZPCRKQNRRBOQ-UHFFFAOYSA-N
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Elements H S N C Cl