potassium [(1,1-dioxo-1λ6-thiolan-3-yl)(methyl)carbamothioyl]sulfanide

• ChemBase ID: 121585
• Molecular Formular: C6H10KNO2S3
• Molecular Mass: 263.4424
• Monoisotopic Mass: 262.95107325
• SMILES: S1(=O)(=O)CC(N(C(=S)[S-])C)CC1.[K+]
• Canonical SMILES: [S-]C(=S)N(C1CCS(=O)(=O)C1)C.[K+]
• InChI: InChI=1S/C6H11NO2S3.K/c1-7(6(10)11)5-2-3-12(8,9)4-5;/h5H,2-4H2,1H3,(H,10,11);/q;+1/p-1
• InChIKey: REMALOBYKCHEPV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium [(1,1-dioxo-1λ^6-thiolan-3-yl)(methyl)carbamothioyl]sulfanide
• IUPAC Traditional name: potassium [(1,1-dioxo-1λ^6-thiolan-3-yl)(methyl)carbamothioyl]sulfanide
• Synonyms: potassium (1,1-dioxidotetrahydrothiophen-3-yl)(methyl)carbamodithioate

Database IDs

• PubChem SID: 162215938
• PubChem CID: 23667428

CALCULATED PROPERTIES

• Acid pKa: 1.9971354
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.0672978
• LogD (pH = 7.4): -1.0690314
• Log P: 0.07392844
• Molar Refractivity: 56.8117 cm^3
• Polarizability: 23.17186 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: K+