1,1-Dimethyl-3-(7-Nitro-1,2-Benzothiazol-3-Yl)Urea

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Properties Simple | Detailed

Formula C10H10N4O3S
IUPAC Name 1,1-dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea
Molecular Mass 266.276 g·mol−1
Heat of Formation 1226.5 ± 16.7 kJ·mol−1
Dipole Moment 4.41 ± 1.08 D
Volume 261.9 Å 3
Surface Area 242.84 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -2.39 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,1-dimethyl-3-(7-nitro-1,2-benzothiazol-3-yl)urea
CAS Number(s)
  • 105734-73-4
InChIKey XARBPSFWRIWIEJ-UHFFFAOYSA-N
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