diethyl {[2-(ethanesulfinyl)ethyl]sulfanyl}(sulfanylidene)phosphonite

• ChemBase ID: 128781
• Molecular Formular: C8H19O3PS3
• Molecular Mass: 290.403421
• Monoisotopic Mass: 290.0233941
• SMILES: O=S(CCSP(=S)(OCC)OCC)CC
• Canonical SMILES: CCOP(=S)(OCC)SCCS(=O)CC
• InChI: InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3
• InChIKey: UPUGLJYNCXXUQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl {[2-(ethanesulfinyl)ethyl]sulfanyl}(sulfanylidene)phosphonite
• IUPAC Traditional name: disulfoton sulfoxide
• Synonyms: Disulfoton-sulfoxide; Oxydisulfoton; 乙拌磷亚砜

Database IDs

• CAS Number: 2497-07-6
• EC Number: 219-679-1
• MDL Number: MFCD00155402
• Beilstein Number: 1712528
• PubChem SID: 24869359; 24897394; 162223085
• PubChem CID: 17242
• Chemspider ID: 16321
• Wikipedia Title: Oxydisulfoton

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0653023
• LogD (pH = 7.4): 1.0653023
• Log P: 1.0653023
• Molar Refractivity: 75.756 cm^3
• Polarizability: 30.26932 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: TD8600000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 24-28-50/53
• Safety Statements: 28-36/37-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H311-H410
• GHS Precautionary statements: P264-P273-P280-P301 + P310-P312-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 1
• Storage Temperature: 2-8°C

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 100 mg
• Empirical Formula (Hill Notation): C8H19O3PS3

DETAILS

Sigma Aldrich - 31562

Legal Information
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