diethyl [({[diethoxy(sulfanylidene)-λ5-phosphanyl]sulfanyl}methyl)sulfanyl](sulfanylidene)phosphonite

• ChemBase ID: 127320
• Molecular Formular: C9H22O4P2S4
• Molecular Mass: 384.476102
• Monoisotopic Mass: 383.98761644
• SMILES: S=P(SCSP(=S)(OCC)OCC)(OCC)OCC
• Canonical SMILES: CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
• InChI: InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3
• InChIKey: RIZMRRKBZQXFOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl [({[diethoxy(sulfanylidene)-λ^5-phosphanyl]sulfanyl}methyl)sulfanyl](sulfanylidene)phosphonite
• IUPAC Traditional name: diethyl ({[diethoxy(sulfanylidene)-λ^5-phosphanyl]sulfanyl}methyl)sulfanyl(sulfanylidene)phosphonite; ethion
• Synonyms: Diethion;[(Dethoxyphosphinothioylthio)methylthio]-diethoxy-thioxophosphorane; Ethion; Ethion; 250MG - Ethion; 乙硫磷

Database IDs

• CAS Number: 563-12-2
• EC Number: 209-242-3
• MDL Number: MFCD00036232
• Beilstein Number: 1804530
• PubChem SID: 24899311; 162221641; 24868967
• PubChem CID: 3286
• CHEBI ID: 38663
• Chemspider ID: 3171
• KEGG ID: C18725
• Unique Ingredient Identifier: 2TI07NO12Y
• Wikipedia Title: Ethion

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.929232
• LogD (pH = 7.4): 3.929232
• Log P: 3.929232
• Molar Refractivity: 97.2537 cm^3
• Polarizability: 39.67909 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless to amber-colored, odorless liquid

Safety Information

• RTECS: TE4550000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 21-25-50/53
• Safety Statements: 25-36/37-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 1000 mg
• Empirical Formula (Hill Notation): C9H22O4P2S4

DETAILS

Sigma Aldrich - 45477

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH