potassium [(nonyloxy)methanethioyl]sulfanide

• ChemBase ID: 120454
• Molecular Formular: C10H19KOS2
• Molecular Mass: 258.48556
• Monoisotopic Mass: 258.05143891
• SMILES: C(=S)([S-])OCCCCCCCCC.[K+]
• Canonical SMILES: CCCCCCCCCOC(=S)[S-].[K+]
• InChI: InChI=1S/C10H20OS2.K/c1-2-3-4-5-6-7-8-9-11-10(12)13;/h2-9H2,1H3,(H,12,13);/q;+1/p-1
• InChIKey: WMEDXAAGIRZNFQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium [(nonyloxy)methanethioyl]sulfanide
• IUPAC Traditional name: potassium [(nonyloxy)methanethioyl]sulfanide
• Synonyms: potassium O-nonyl carbonodithioate

Database IDs

• PubChem SID: 162214807
• PubChem CID: 23667423

CALCULATED PROPERTIES

• Acid pKa: 1.1406791
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.203335
• LogD (pH = 7.4): 4.203093
• Log P: 5.3460717
• Molar Refractivity: 66.2928 cm^3
• Polarizability: 26.708654 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Salt Data: K+