N-{2-[({5-[(Dimethylamino)Methyl]-2-Furyl}Methyl)Sulfanyl]Ethyl}Thieno[3,4-B]Thiophen-3-Amine 1,1-Dioxide

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Properties Simple | Detailed

Formula C16H20N2O3S3
IUPAC Name n-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]-1,1-dioxo-thieno[3,4-b]thiophen-3-amine
Molecular Mass 384.537 g·mol−1
Heat of Formation -119.9 ± 16.7 kJ·mol−1
Dipole Moment 9.57 ± 1.08 D
Volume 437.91 Å 3
Surface Area 393.42 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (1,1-diketothieno[4,5-c]thiophen-3-yl)-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]amine
  • n-(2-(((-5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)thieno(3,4-d)isothiazol-3-amine-1,1-dioxide
  • n-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-1,1-dioxo-thieno[4,5-c]thiophen-3-amine
  • n-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]-1,1-dioxo-3-thieno[4,5-c]thiophenamine
  • n-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1,1-dioxo-thieno[4,5-c]thiophen-3-amine
  • n-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1,1-dioxothieno[4,5-c]thiophen-3-amine
  • thieno(3,4-b)thiophen-3-amine, n-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-, 1,1-dioxide
  • wy 45727
  • wy-45,727
CAS Number(s)
  • 111051-48-0
  • 94662-50-7
InChIKey XWWRTZCTNGSLNN-UHFFFAOYSA-N
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