4-{[(4-Methyl-1-Piperazinyl)Carbamothioyl]Amino}Benzenesulfonamide

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Properties Simple | Detailed

Formula C12H19N5O2S2
IUPAC Name 1-(4-methylpiperazin-1-yl)-3-(4-sulfamoylphenyl)thiourea
Molecular Mass 329.442 g·mol−1
Heat of Formation -59.2 ± 16.7 kJ·mol−1
Dipole Moment 5.78 ± 1.08 D
Volume 377.35 Å 3
Surface Area 302.95 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-methyl-1-piperazinyl)-3-(4-sulfamoylphenyl)thiourea
  • 4-({[(4-methylpiperazin-1-yl)amino]carbonothioyl}amino)benzenesulfonamide
  • mpx
InChIKey BPPLIZHQOIGRPZ-UHFFFAOYSA-N
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