Marvin  12050622562D          

  4  3  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <ID>
CHEBI:29290

> <NAME>
thionyl chloride

> <DEFINITION>
A sulfinyl halide in which both of the halide atoms are chorines.

> <STAR>
3

> <SYNONYM>
thionyl dichloride; Sulfurous oxychloride; Sulfur oxychloride; sulfur dichloride oxide; Sulfur chloride oxide; Sulfinyl dichloride; Sulfinyl chloride; SOCl2; [SCl2O]

> <IUPAC_NAME>
sulfurous dichloride; dichloridooxidosulfur

> <FORMULA>
Cl2OS

> <MASS>
118.97080

> <MONOISOTOPIC_MASS>
117.90469

> <CHARGE>
0

> <SMILES>
ClS(Cl)=O

> <INCHI>
InChI=1S/Cl2OS/c1-4(2)3

> <INCHIKEY>
FYSNRJHAOHDILO-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1209273

> <CAS_REGISTRY_NUMBER>
7719-09-7

> <CHEMIDPLUS>
7719-09-7

> <NIST_CHEMISTRY_WEBBOOK>
7719-09-7

> <WIKIPEDIA_ACCESSION>
Thionyl_chloride

> <PUBMED_CITATION>
18052293; 26388384

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