trimethyl-λ5-phosphanethione

• ChemBase ID: 295414
• Molecular Formular: C3H9PS
• Molecular Mass: 108.142321
• Monoisotopic Mass: 108.01625792
• SMILES: CP(=S)(C)C
• Canonical SMILES: CP(=S)(C)C
• InChI: InChI=1S/C3H9PS/c1-4(2,3)5/h1-3H3
• InChIKey: KTFAZNVGJUIWJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl-λ^5-phosphanethione
• IUPAC Traditional name: trimethyl-λ^5-phosphanethione
• Synonyms: Trimethylphosphine sulfide; 三甲基硫膦

Database IDs

• CAS Number: 2404-55-9
• MDL Number: MFCD00014460
• PubChem SID: 180680945
• PubChem CID: 123160

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.60307217
• LogD (pH = 7.4): -0.60307217
• Log P: -0.60307217
• Molar Refractivity: 32.3047 cm^3
• Polarizability: 12.911011 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155-156°C

Safety Information

• European Hazard Symbols: X
• UN Number: UN3464
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 9-26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%