calcium sulfanediide

• ChemBase ID: 302949
• Molecular Formular: CaS
• Molecular Mass: 72.143
• Monoisotopic Mass: 71.93466198
• SMILES: [SH2-2].[Ca+2]
• Canonical SMILES: [SH2-2].[Ca+2]
• InChI: InChI=1S/Ca.S/q+2;-2
• InChIKey: AGVJBLHVMNHENQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium sulfanediide
• IUPAC Traditional name: calcium sulfanediide
• Synonyms: Calcium sulfide; 硫化钙

Database IDs

• CAS Number: 20548-54-3
• EC Number: 243-873-5
• MDL Number: MFCD00015990
• Merck Index: 141707

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.06446023
• LogD (pH = 7.4): -0.7196984
• Log P: -0.0375
• Molar Refractivity: 5.7558 cm^3
• Polarizability: 3.055504 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: -325 Mesh Powder
• Melting Point: dec.
• Density: 2.5

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: UN3134
• Hazard Class: 4.3
• Packing Group: III
• Risk Statements: 31-36/37/38-50
• Safety Statements: 28-61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS09
• GHS Hazard statements: H261-H400-H315-H319-H335
• GHS Precautionary statements: P231+P232-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99% (metals basis excluding Mg), Mg <1%; 99.9% (metals basis excluding Sr), Sr typically 500 ppm