Formula |
C7H5NO3S2 |
IUPAC Name |
4-isothiocyanatobenzenesulfonic acid |
Molecular Mass |
215.249 g·mol−1 |
Heat of Formation |
-276.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.85 ± 1.08 D |
Volume |
221.79 Å 3 |
Surface Area |
219.56 Å 2 |
HOMO Energy |
-9.24 ± 0.55 eV |
LUMO Energy |
-1.71 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 4-isothiocyanatobenzenesulfonate
- 4-sulfophenyl isothiocyanate
- p-isothiocyanatobenzenesulfonate
- para-isothiocyanatobenzenesulfonate
|
InChIKey |
LBYBJJOUISDNRJ-UHFFFAOYSA-N |
QR Code |
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Links |
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|
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|
Downloads |
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|
Elements |
H
S
C
O
N
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