Mustard Gas

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 185
Total Number of Articles : 180
PubChem 10461
Molecular Formula

C4H8Cl2S

SMILES

C(CCl)SCCCl

InChI

InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2

synonyms
  • Mustard gas
  • Sulfur mustard
  • Yperite
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Properties
Property Value
MW 159.08 g/mol
HBD 0
HBA 1
Rotatable Bond Count 4
Exact Mass 157.9723768 g/mol
Monoisotopic Mass 157.9723768 g/mol
Heavy Atom Count 7
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 28.9
xlogp 2.1
Topological Polar Surface Area 25.3