1-(2-Nitro-4-Propyloxyphenyl)-3-Carbomethoxy-S-Methylisothiourea

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Properties Simple | Detailed

Formula C13H17N3O5S
IUPAC Name methyl (nz)-n-[methylsulfanyl-(2-nitro-4-propoxy-anilino)methylene]carbamate
Molecular Mass 327.356 g·mol−1
Heat of Formation -401.9 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 368.42 Å 3
Surface Area 342.71 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • (nz)-n-[(methylthio)-[(2-nitro-4-propoxy-phenyl)amino]methylene]carbamic acid methyl ester
  • (nz)-n-[(methylthio)-[(2-nitro-4-propoxyphenyl)amino]methylene]carbamic acid methyl ester
  • methyl (nz)-n-[methylsulfanyl-[(2-nitro-4-propoxy-phenyl)amino]methylene]carbamate
  • methyl (nz)-n-[methylsulfanyl-[(2-nitro-4-propoxy-phenyl)amino]methylidene]carbamate
  • methyl (nz)-n-[methylsulfanyl-[(2-nitro-4-propoxyphenyl)amino]methylidene]carbamate
InChIKey ZHKDYHGKTYELQD-UHFFFAOYSA-N
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