Mustard gas 3D structure

Mustard gas (also called Sulfur mustard, Yperite) has the formula C4H8Cl2S and a molar mass of 159.08 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C4H8Cl2S
Molar mass
159.08 g/mol
PubChem CID
10461
Heavy atoms
7
Category
Toxins and poisons

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name1-chloro-2-(2-chloroethylsulfanyl)ethane
SMILESC(CCl)SCCCl
PubChem CID10461
Other namesSulfur mustard, Yperite, Senfgas, Iprit, Lost

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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