Formula |
C8H4N2O3S3 |
IUPAC Name |
2,5-diisothiocyanatobenzenesulfonic acid |
Molecular Mass |
272.324 g·mol−1 |
Heat of Formation |
-97.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.11 ± 1.08 D |
Volume |
274.46 Å 3 |
Surface Area |
259.11 Å 2 |
HOMO Energy |
-8.85 ± 0.55 eV |
LUMO Energy |
-1.96 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2,5-diisothiocyanato-benzenesulphonic acid
- 2,5-diisothiocyanatobenzenesulfonate
- benzenesulfonic acid, 2,5-diisothiocyanato-
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CAS Number(s) |
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InChIKey |
GAZYMQNPYHXJCK-UHFFFAOYSA-N |
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Links |
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Elements |
H
S
C
O
N
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