N-[5-Methoxy-2-(2-Methyl-2-Propanyl)-1,3-Benzothiazol-6-Yl]-4-Methyl-1-Piperazinecarbothioamide

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Properties Simple | Detailed

Formula C18H26N4OS2
IUPAC Name n-(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)-4-methyl-piperazine-1-carbothioamide
Molecular Mass 378.555 g·mol−1
Heat of Formation 53.5 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 463.76 Å 3
Surface Area 384.18 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
Synonyms
  • 1-piperazinecarbothioamide, n-(2-(1,1-dimethylethyl)-5-methoxy-6-benzothiazolyl)-4-methyl-
  • 1-piperazinecarbothioic acid, 1-(2-(1,1-dimethylethyl)-5-methoxy-6-benzothiazolyl)-2-methylhydrazide
  • cgp 20309
  • cgp-20309
  • n-(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)-4-methyl-1-piperazinecarbothioamide
  • n-(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)-4-methyl-piperazine-1-carbothioamide
  • n-(2-tert-butyl-5-methoxy-1,3-benzothiazol-6-yl)-4-methylpiperazine-1-carbothioamide
CAS Number(s)
  • 122378-48-7
InChIKey QQKZAUPDCVHWJD-UHFFFAOYSA-N
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