4-(3-Amino-2,6-Dichlorophenyl)-1,2,5-Thiadiazol-3-Yl Methyl(Propyl)Carbamate

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Properties Simple | Detailed

Formula C13H14Cl2N4O2S
IUPAC Name [4-(3-amino-2,6-dichloro-phenyl)-1,2,5-thiadiazol-3-yl] n-methyl-n-propyl-carbamate
Molecular Mass 361.247 g·mol−1
Heat of Formation -174.3 ± 16.7 kJ·mol−1
Dipole Moment 7.46 ± 1.08 D
Volume 385.96 Å 3
Surface Area 298.01 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • [4-(2,6-dichloro-3-aminophenyl)(1,2,5-thiadiazol-3-yloxy)]-n-methyl-n-propylcarboxamide
  • [4-(3-amino-2,6-dichloro-phenyl)-1,2,5-thiadiazol-3-yl] n-methyl-n-propyl-carbamate
  • [4-(3-amino-2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] n-methyl-n-propylcarbamate
  • n-methyl-n-propyl [3-(3-amino-2,6-dichlorophenyl)-1,2,5-thiadiazol-4-yl] carbamate
  • n-methyl-n-propyl-carbamic acid [4-(3-amino-2,6-dichloro-phenyl)-1,2,5-thiadiazol-3-yl] ester
  • n-methyl-n-propylcarbamic acid [4-(3-amino-2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] ester
  • rd4-2217
InChIKey VBYJPZJPEIEZCA-UHFFFAOYSA-N
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