cyanosulfanide

• ChemBase ID: 130531
• Molecular Formular: CNS-
• Molecular Mass: 58.0824
• Monoisotopic Mass: 57.97514501
• SMILES: [S-]C#N
• Canonical SMILES: [S-]C#N
• InChI: InChI=1S/CHNS/c2-1-3/h3H/p-1
• InChIKey: ZMZDMBWJUHKJPS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: cyanosulfanide
• IUPAC Traditional name: thiocyanate
• Synonyms: sulphocyanate; thiocyanide; Thiocyanate

Database IDs

• PubChem SID: 162224810
• PubChem CID: 9322
• CHEBI ID: 18022
• CHEMBL: 84336
• Chemspider ID: 8961
• Wikipedia Title: Thiocyanate

CALCULATED PROPERTIES

• Acid pKa: 0.49709612
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.6371734
• LogD (pH = 7.4): -0.63722837
• Log P: 0.5057529
• Molar Refractivity: 16.0894 cm^3
• Polarizability: 5.888356 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true