ammonium dimethyl sulfanidyl(sulfanylidene)phosphonite

• ChemBase ID: 296985
• Molecular Formular: C2H10NO2PS2
• Molecular Mass: 175.210061
• Monoisotopic Mass: 174.9890572
• SMILES: COP(=S)(OC)[S-].[NH4+]
• Canonical SMILES: COP(=S)(OC)[S-].[NH4+]
• InChI: InChI=1S/C2H7O2PS2.H3N/c1-3-5(6,7)4-2;/h1-2H3,(H,6,7);1H3
• InChIKey: PPGORMGERPBFTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium dimethyl sulfanidyl(sulfanylidene)phosphonite
• IUPAC Traditional name: ammonium dimethyl sulfanidyl(sulfanylidene)phosphonite
• Synonyms: Ammonium O,O'-dimethylphosphorodithioate; Ammonium O,O'-dimethyldithiophosphate; O,O'-二甲基二硫代磷酸铵

Database IDs

• CAS Number: 1066-97-3
• EC Number: 213-922-5
• MDL Number: MFCD09753116
• PubChem SID: 180682516
• PubChem CID: 6451175

CALCULATED PROPERTIES

• Acid pKa: 1.3538234
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.1706632
• LogD (pH = 7.4): -0.17170049
• Log P: 1.3712683
• Molar Refractivity: 38.4766 cm^3
• Polarizability: 15.897205 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146-150°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 95%