sulfanylformonitrile thallane

• ChemBase ID: 111877
• Molecular Formular: CHNSTl
• Molecular Mass: 263.47364
• Monoisotopic Mass: 263.95739704
• SMILES: [Tl].SC#N
• Canonical SMILES: SC#N.[Tl]
• InChI: InChI=1S/CHNS.Tl/c2-1-3;/h3H
• InChIKey: BEORFWVICVXJAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfanylformonitrile thallane
• IUPAC Traditional name: thiocyanate ion thallium hydride
• Synonyms: THALLIUM THIOCYANATE

Database IDs

• CAS Number: 3535-84-0
• PubChem SID: 162096809
• PubChem CID: 24191762

CALCULATED PROPERTIES

• Acid pKa: 0.49709612
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6371734
• LogD (pH = 7.4): -0.63722837
• Log P: 0.5057529
• Molar Refractivity: 15.3472 cm^3
• Polarizability: 5.5332227 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05221511

MP Biomedicals Rare Chemical collection