2-Sulfamoyl-1,3-Benzothiazol-6-Yl Pivalate

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Properties Simple | Detailed

Formula C12H14N2O4S2
IUPAC Name (2-sulfamoyl-1,3-benzothiazol-6-yl) 2,2-dimethylpropanoate
Molecular Mass 314.381 g·mol−1
Heat of Formation -529.6 ± 16.7 kJ·mol−1
Dipole Moment 6.77 ± 1.08 D
Volume 337.13 Å 3
Surface Area 308.44 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2-sulfamoyl-6-benzothiazolyl)-2,2-dimethylpropionate
  • 2,2-dimethylpropanoic acid (2-sulfamoyl-1,3-benzothiazol-6-yl) ester
  • 2,2-dimethylpropionic acid (2-sulfamoyl-1,3-benzothiazol-6-yl) ester
  • l 645151
  • l-645151
  • propanoic acid, 2,2-dimethyl-, 2-(aminosulfonyl)-6-benzothiazolyl ester
CAS Number(s)
  • 86394-94-7
InChIKey FAZPZNCEAZRGPY-UHFFFAOYSA-N
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