disodium (1,2-dicyano-2-sulfanidyleth-1-en-1-yl)sulfanide

• ChemBase ID: 129534
• Molecular Formular: C4N2Na2S2
• Molecular Mass: 186.16574
• Monoisotopic Mass: 185.92982857
• SMILES: [Na+].[Na+].[S-]/C(=C(/[S-])\C#N)/C#N
• Canonical SMILES: N#C/C(=C(/C#N)\[S-])/[S-].[Na+].[Na+]
• InChI: InChI=1S/C4H2N2S2.2Na/c5-1-3(7)4(8)2-6;;/h7-8H;;/q;2*+1/p-2
• InChIKey: UIEQIOFOWZBELJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium (1,2-dicyano-2-sulfanidyleth-1-en-1-yl)sulfanide
• IUPAC Traditional name: disodium (1,2-dicyano-2-sulfanidyleth-1-en-1-yl)sulfanide
• Synonyms: sodium mnt sodium maleonitriledithiolate; Sodium maleonitriledithiolate

Database IDs

• PubChem SID: 162223826
• PubChem CID: 6523934
• Chemspider ID: 5013443
• Wikipedia Title: Sodium_maleonitriledithiolate

CALCULATED PROPERTIES

• Acid pKa: 4.6868005
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.31143156
• LogD (pH = 7.4): -0.80348223
• Log P: 0.39803007
• Molar Refractivity: 40.2388 cm^3
• Polarizability: 14.208576 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in ethanol, DMF
• Apperance: yellow solid