dimethyl methoxy(sulfanylidene)phosphonite

• ChemBase ID: 238265
• Molecular Formular: C3H9O3PS
• Molecular Mass: 156.140521
• Monoisotopic Mass: 156.00100178
• SMILES: P(=S)(OC)(OC)OC
• Canonical SMILES: COP(=S)(OC)OC
• InChI: InChI=1S/C3H9O3PS/c1-4-7(8,5-2)6-3/h1-3H3
• InChIKey: XWSLYQXUTWUIKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl methoxy(sulfanylidene)phosphonite
• IUPAC Traditional name: dimethyl methoxy(sulfanylidene)phosphonite
• Synonyms: Trimethyl thiophosphate; dimethyl methoxy(sulfanylidene)phosphonite; 硫代磷酸三甲酯

Database IDs

• CAS Number: 152-18-1
• MDL Number: MFCD00014888
• PubChem SID: 164294175
• PubChem CID: 9038

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0036479
• LogD (pH = 7.4): 1.0036479
• Log P: 1.0036479
• Molar Refractivity: 36.0897 cm^3
• Polarizability: 15.071893 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Hydrophobicity(logP): 1.008

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: UN3278
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 25-36/37/38
• Safety Statements: 26-28-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%