1-(2-{[(2-Carbamimidamido-1,3-Thiazol-4-Yl)Methyl]Sulfanyl}Ethyl)-2-Cyano-3-Methylguanidine

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Properties Simple | Detailed

Formula C10H16N8S2
IUPAC Name 1-cyano-3-[2-[(2-guanidinothiazol-4-yl)methylsulfanyl]ethyl]-2-methyl-guanidine
Molecular Mass 312.418 g·mol−1
Heat of Formation 412.0 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 365.91 Å 3
Surface Area 348.47 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 2-cyano-1-(2-(((2-((diaminomethylene)amino)-4-thiazolyl)methyl)thio)ethyl)-3-methylguanidine
  • 3-cyano-1-[2-[(2-guanidino-4-thiazolyl)methylthio]ethyl]-2-methylguanidine
  • 3-cyano-1-[2-[(2-guanidinothiazol-4-yl)methylsulfanyl]ethyl]-2-methyl-guanidine
  • 3-cyano-1-[2-[(2-guanidinothiazol-4-yl)methylthio]ethyl]-2-methyl-guanidine
  • 3-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-methyl-guanidine
  • d06157
  • guanidine, n''-cyano-n-(2-(((2-((diaminomethylene)amino)-4-thiazolyl)methyl)thio)ethyl)-n'-methyl-
  • ici-125211
  • n-(2-(((2-((aminoiminomethyl)amino)-4-thiazoyl)methyl)thio)ethyl)-n'-cyano-n''-methylguanidine
  • pdsp1_000540
  • pdsp2_000538
  • tiotidine
  • tiotidine (usan)
  • tocris-0826
CAS Number(s)
  • 69014-14-8
InChIKey YDDXVAXDYKBWDX-UHFFFAOYSA-N
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