2-(4-Amino-3-Sulfophenyl)-6-Methyl-1,3-Benzothiazole-7-Sulfonic Acid

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Properties Simple | Detailed

Formula C14H12N2O6S3
IUPAC Name 2-(4-amino-3-sulfo-phenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
Molecular Mass 400.450 g·mol−1
Heat of Formation -818.4 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 388.13 Å 3
Surface Area 344.37 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4'-aminophenyl)-6-methylbenzene-thiazole-3',7-disulfonic acid
  • 2-(4-amino-3-sulphophenyl)-6-methylbenzothiazole-7-sulphonic acid
  • 7-benzothiazolesulfonic acid, 2-(4-amino-3-sulfophenyl)-6-methyl-
CAS Number(s)
  • 5855-98-1
InChIKey ANZCWTMNWQPOQI-UHFFFAOYSA-N
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