ethoxy(potassiosulfanyl)methanethione

• ChemBase ID: 90306
• Molecular Formular: C3H5KOS2
• Molecular Mass: 160.2995
• Monoisotopic Mass: 159.94188846
• SMILES: S(C(=S)OCC)[K]
• Canonical SMILES: CCOC(=S)S[K]
• InChI: InChI=1S/C3H6OS2.K/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
• InChIKey: JCBJVAJGLKENNC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: ethoxy(potassiosulfanyl)methanethione
• IUPAC Traditional name: ethoxy(potassiosulfanyl)methanethione
• Synonyms: POTASSIUM ETHYLXANTHATE; Potassium ethyl xanthate; Potassium O-ethyl carbonodithioate; KEX; O-Ethylxanthic acid potassium salt; Potassium O-ethyl dithiocarbonate; Potassium xanthogenate; Potassium ethyl xanthogenate; O-乙基二硫代碳酸钾; O-乙基黄原酸 钾盐; 黄原酸钾; 乙基黄原酸钾

Database IDs

• CAS Number: 140-89-6
• EC Number: 205-439-3
• MDL Number: MFCD00004931
• Beilstein Number: 3596974
• PubChem SID: 24855406; 24881784; 162077126
• PubChem CID: 2735045

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.4886
• LogD (pH = 7.4): 0.4886
• Log P: 0.4886
• Molar Refractivity: 32.5225 cm^3
• Polarizability: 15.668784 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210 °C (dec.)(lit.)
• Flash Point: 204.8 °F; 96 °C

Safety Information

• Storage Warning: Harmful
• RTECS: FG1575000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 3342
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 2
• Risk Statements: 22-36/37/38; R:22
• Safety Statements: 26-37; S:36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3342 4.2/PG 2

Product Information

• Purity: ≥98.0% (RT); 96%
• Grade: purum
• Linear Formula: C2H5OCSSK

DETAILS

MP Biomedicals - 05212182

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 254770

Packaging
100, 500 g in poly bottle
5 g in glass bottle