1-(3-Chloro-4-Methylphenyl)-3-{2-[({5-[(Dimethylamino)Methyl]-2-Furyl}Methyl)Sulfanyl]Ethyl}Urea

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Properties Simple | Detailed

Formula C18H24ClN3O2S
IUPAC Name 1-(3-chloro-4-methyl-phenyl)-3-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]urea
Molecular Mass 381.920 g·mol−1
Heat of Formation -205.7 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 454.65 Å 3
Surface Area 417.43 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3-chloro-4-methyl-phenyl)-1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]urea
  • 3-(3-chloro-4-methyl-phenyl)-1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]urea
  • 3-(3-chloro-4-methyl-phenyl)-1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]urea
  • 3-(3-chloro-4-methylphenyl)-1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]urea
  • 3-(3-chloro-4-methylphenyl)-1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]urea
InChIKey WEYNBWVKOYCCQT-UHFFFAOYSA-N
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