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

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Properties Simple | Detailed

Formula C10H17N9O2S3
IUPAC Name 2-[4-[2-[(5-amino-4-methyl-1,1-dioxo-1,2,4,6-thiatriazin-3-yl)amino]ethylsulfanylmethyl]thiazol-2-yl]guanidine
Molecular Mass 391.496 g·mol−1
Heat of Formation -16.1 ± 16.7 kJ·mol−1
Dipole Moment 10.05 ± 1.08 D
Volume 421.93 Å 3
Surface Area 358.93 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (4-(((2-((5-amino-4-methyl-4h-1,24,6-thriatriazin-3-yl)amino)ethyl)thio)methyl)-2-thiazolyl)guanidine s'',s''-dioxide
  • 2-[4-[[2-[(5-amino-1,1-diketo-4-methyl-1,2,4,6-thiatriazin-3-yl)amino]ethylthio]methyl]thiazol-2-yl]guanidine
  • 2-[4-[[2-[(5-amino-4-methyl-1,1-dioxo-1,2,4,6-thiatriazin-3-yl)amino]ethylthio]methyl]-2-thiazolyl]guanidine
  • guanidine, (4-(((2-((5-amino-4-methyl-4h-1,2,4,6-thiatriazin-3-yl)amino)ethyl)thio)methyl)-2-thiazolyl)-, s,s-dioxide
  • huk 978
  • tuvatidina [spanish]
  • tuvatidine
  • tuvatidinum [latin]
CAS Number(s)
  • 91257-14-6
InChIKey FSWCCDQGXZITPD-UHFFFAOYSA-N
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