4-Bromo-N-[(E)-({2-[({2-[(Diaminomethylene)Amino]-1,3-Thiazol-4-Yl}Methyl)Sulfonyl]Ethyl}Imino)Methyl]Benzenesulfonamide

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Properties Simple | Detailed

Formula C14H17BrN6O4S3
IUPAC Name n-(4-bromophenyl)sulfonyl-n'-[2-[(2-guanidinothiazol-4-yl)methylsulfonyl]ethyl]formamidine
Molecular Mass 509.422 g·mol−1
Heat of Formation -354.5 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 486.43 Å 3
Surface Area 360.61 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • benzenesulfonamide, n-(((2-(((2-((aminoiminomethyl)amino)-4-thiazolyl)methyl)sulfonyl)ethyl)amino)methylene)-4-bromo-
  • ebrotidine s,s-dioxide
  • n-(4-bromophenyl)sulfonyl-n'-[2-[(2-guanidino-4-thiazolyl)methylsulfonyl]ethyl]formamidine
  • n-(4-bromophenyl)sulfonyl-n'-[2-[(2-guanidinothiazol-4-yl)methylsulfonyl]ethyl]formamidine
  • n-(4-bromophenyl)sulfonyl-n'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfonyl]ethyl]methanimidamide
CAS Number(s)
  • 152675-29-1
InChIKey JFIWRQSYBXTJRY-UHFFFAOYSA-N
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