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
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Synonyms
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- benzenecarbothioic acid s-(5-thiatriazolyl) ester
- s-(1,2,3,4-thiatriazol-5-yl) benzenecarbothioate
- thiobenzoic acid s-(thiatriazol-5-yl) ester
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InChIKey |
XEARABZRQKSEJE-UHFFFAOYSA-N |
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Elements |
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