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| IUPAC Name: | sodium;4-isothiocyanatobenzenesulfonate;hydrate |
| Description: | 4-Sulfophenyl isothiocyanate sodium salt monohydrate (CAS# 143193-53-7 ) is a useful research chemical. |
| Molecular Weight: | 255.25 |
| Molecular Formula: | C7H6NNaO4S2 |
| Canonical SMILES: | C1=CC(=CC=C1N=C=S)S(=O)(=O)[O-].O.[Na+] |
| InChI: | InChI=1S/C7H5NO3S2.Na.H2O/c9-13(10,11)7-3-1-6(2-4-7)8-5-12;;/h1-4H,(H,9,10,11);;1H2/q;+1;/p-1 |
| InChI Key: | TYLQYONISARSPL-UHFFFAOYSA-M |
| MDL: | MFCD00149538 |
| LogP: | 2.34150 |
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