Mustardsulphoxide
[CAS# 5819-08-9]

Identification

• Name: Mustardsulphoxide
• Synonyms: Ethane, 1,1'-Sulfinylbis(2-Chloro- (9Ci); H Sulfoxide; Nsc 141393
• Molecular Formula: C₄H₈Cl₂OS
• Molecular Weight: 175.07
• CAS Registry Number: 5819-08-9
• SMILES: C(Cl)C[S](CCCl)=O
• InChI: 1S/C4H8Cl2OS/c5-1-3-8(7)4-2-6/h1-4H2
• InChIKey: NOMHBBFEJSVGSC-UHFFFAOYSA-N

Properties

• Density: 1.38g/cm³ (Cal.)
• Boiling point: 335.598°C at 760 mmHg (Cal.)
• Flash point: 156.764°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493