dipropyl {[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}(sulfanylidene)phosphonite

• ChemBase ID: 158198
• Molecular Formular: C14H28NO3PS2
• Molecular Mass: 353.480781
• Monoisotopic Mass: 353.12482239
• SMILES: CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C
• Canonical SMILES: CCCOP(=S)(SCC(=O)N1CCCCC1C)OCCC
• InChI: InChI=1S/C14H28NO3PS2/c1-4-10-17-19(20,18-11-5-2)21-12-14(16)15-9-7-6-8-13(15)3/h13H,4-12H2,1-3H3
• InChIKey: UNLYSVIDNRIVFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dipropyl {[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}(sulfanylidene)phosphonite
• IUPAC Traditional name: piperophos
• Synonyms: Piperophos; 哌草磷

Database IDs

• CAS Number: 24151-93-7
• MDL Number: MFCD00210346
• Beilstein Number: 8395577
• PubChem SID: 24869649; 162252334
• PubChem CID: 32230

CALCULATED PROPERTIES

• Acid pKa: 17.557396
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5909383
• LogD (pH = 7.4): 3.5909383
• Log P: 3.5909383
• Molar Refractivity: 95.3392 cm^3
• Polarizability: 38.174255 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >100 °C; >212 °F

Safety Information

• RTECS: TE3690000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-50/53
• Safety Statements: 60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H410
• GHS Precautionary statements: P273-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C14H28NO3PS2

DETAILS

Sigma Aldrich - 46011

Legal Information
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