dipotassium (2-nitro-1-sulfanidylethenyl)sulfanide

• ChemBase ID: 279154
• Molecular Formular: C2HK2NO2S2
• Molecular Mass: 213.36144
• Monoisotopic Mass: 212.87228364
• SMILES: [N+](=O)(C=C([S-])[S-])[O-].[K+].[K+]
• Canonical SMILES: [S-]C(=C[N+](=O)[O-])[S-].[K+].[K+]
• InChI: InChI=1S/C2H3NO2S2.2K/c4-3(5)1-2(6)7;;/h1,6-7H;;/q;2*+1/p-2
• InChIKey: NLOLYGOJQHBROF-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium (2-nitro-1-sulfanidylethenyl)sulfanide
• IUPAC Traditional name: dipotassium (2-nitro-1-sulfanidylethenyl)sulfanide
• Synonyms: dipotassium (2-nitro-1-sulfanidylethenyl)sulfanide

Database IDs

• MDL Number: MFCD20731096
• PubChem SID: 164335064
• PubChem CID: 13563696

CALCULATED PROPERTIES

• Acid pKa: 0.6128363
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.011776008
• LogD (pH = 7.4): -0.8276727
• Log P: 1.2389069
• Molar Refractivity: 43.2744 cm^3
• Polarizability: 12.727627 Å^3
• Polar Surface Area: 45.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.998

Product Information

• Purity: 95%