chloroethene; ethene; ethenesulfonyl chloride

• ChemBase ID: 137753
• Molecular Formular: C6H10Cl2O2S
• Molecular Mass: 217.1134
• Monoisotopic Mass: 215.97785592
• SMILES: C=C.C=CS(=O)(=O)Cl.C=CCl
• Canonical SMILES: C=CS(=O)(=O)Cl.ClC=C.C=C
• InChI: InChI=1S/C2H3ClO2S.C2H3Cl.C2H4/c1-2-6(3,4)5;1-2-3;1-2/h2H,1H2;2H,1H2;1-2H2
• InChIKey: WWBFRQIYVFBMRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloroethene; ethene; ethenesulfonyl chloride
• IUPAC Traditional name: ethenesulfonyl chloride; ethylene; vinyl chloride
• Synonyms: Polyethylene, chlorosulfonated; 氯磺化聚乙烯

Database IDs

• CAS Number: 68037-39-8
• PubChem SID: 162232014
• PubChem CID: 24212205

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5373706
• LogD (pH = 7.4): 0.5373706
• Log P: 0.5373706
• Molar Refractivity: 24.2602 cm^3
• Polarizability: 10.393657 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: chunks

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Concentration: 1.1 wt. % S (as SO2Cl)
• Extent of Labeling: 43 wt. % Cl
• Mol. Weight: average Mw ~195,000 by GPC