S-(Thiatriazol-5-Yl) Benzenecarbothioate

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Properties Simple | Detailed

Formula C8H5N3OS2
IUPAC Name s-(thiatriazol-5-yl) benzenecarbothioate
Molecular Mass 223.275 g·mol−1
Heat of Formation 306.1 ± 16.7 kJ·mol−1
Dipole Moment 6.45 ± 1.08 D
Volume 239.51 Å 3
Surface Area 227.86 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -1.88 ± eV
Point Group Symmetry C1
Synonyms
  • benzenecarbothioic acid s-(5-thiatriazolyl) ester
  • s-(1,2,3,4-thiatriazol-5-yl) benzenecarbothioate
  • thiobenzoic acid s-(thiatriazol-5-yl) ester
InChIKey XEARABZRQKSEJE-UHFFFAOYSA-N
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