2-{4-[({2-[(5-{[2-(Diethylamino)Ethyl]Amino}-4-Methyl-4H-1,2,4,6-Thiatriazin-3-Yl)Amino]Ethyl}Sulfanyl)Methyl]-1,1-Dioxido-1,3-Thiazol-2-Yl}Guanidine

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Properties Simple | Detailed

Formula C16H30N10O2S3
IUPAC Name 2-[4-[2-[[5-[2-(diethylamino)ethylamino]-4-methyl-1,2,4,6-thiatriazin-3-yl]amino]ethylsulfanylmethyl]-1,1-dioxo-thiazol-2-yl]guanidine
Molecular Mass 490.670 g·mol−1
Heat of Formation -31.4 ± 16.7 kJ·mol−1
Dipole Moment 8.12 ± 1.08 D
Volume 568.47 Å 3
Surface Area 402.05 Å 2
HOMO Energy -7.54 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[2-[[5-(2-diethylaminoethylamino)-4-methyl-1,2,4,6-thiatriazin-3-yl]amino]ethylsulfanylmethyl]-1,1-dioxo-1,3-thiazol-2-yl]guanidine
  • 2-[4-[2-[[5-(2-diethylaminoethylamino)-4-methyl-1,2,4,6-thiatriazin-3-yl]amino]ethylsulfanylmethyl]-1,1-dioxo-thiazol-2-yl]guanidine
  • 2-[4-[[2-[[5-(2-diethylaminoethylamino)-4-methyl-1,2,4,6-thiatriazin-3-yl]amino]ethylthio]methyl]-1,1-diketo-thiazol-2-yl]guanidine
  • 2-[4-[[2-[[5-(2-diethylaminoethylamino)-4-methyl-1,2,4,6-thiatriazin-3-yl]amino]ethylthio]methyl]-1,1-dioxo-2-thiazolyl]guanidine
  • 3-(2-diethylaminoethylamino)-5-(2-((2-guanidinothiazol-4-yl)methylthio)ethylamino)-4-methyl-1,2,4,6-thiatriazine-1,1-dioxide
  • e 1309
  • e-1309
  • guanidine, (4-(((2-((5-((2-(diethylamino)ethyl)amino)-4-methyl-4h-1,2,4,6-thiatriazin-3-yl)amino)ethyl)thio)methyl)-2-thiazolyl)-, s,s-dioxide
CAS Number(s)
  • 91257-64-6
InChIKey PCMVBKGOEXRBNS-UHFFFAOYSA-N
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