N,N-dimethyl(potassiosulfanyl)carbothioamide

• ChemBase ID: 92476
• Molecular Formular: C3H6KNS2
• Molecular Mass: 159.31474
• Monoisotopic Mass: 158.95787288
• SMILES: S([K])C(=S)N(C)C
• Canonical SMILES: [K]SC(=S)N(C)C
• InChI: InChI=1S/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
• InChIKey: TVPFLPJBESCUKI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl(potassiosulfanyl)carbothioamide
• IUPAC Traditional name: N,N-dimethylpotassiosulfanylcarbothioamide
• Synonyms: Potassium N,N-dimethyldithiocarbamate, 50% aqueous solution

Database IDs

• CAS Number: 128-03-0
• MDL Number: MFCD00067270
• PubChem SID: 162079174
• PubChem CID: 23662387

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.2574
• LogD (pH = 7.4): -0.2574
• Log P: -0.2574
• Molar Refractivity: 34.6204 cm^3
• Polarizability: 16.07676 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true