Marvin  01180622572D          

  5  4  0  0  0  0            999 V2000
    0.0000   -0.1650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4291   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
> <ID>
CHEBI:27710

> <NAME>
diethyl sulfide

> <DEFINITION>
An ethyl sulfide compound having two ethyl groups attached to a sulfur atom.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4526; CHEBI:23710

> <SYNONYM>
Thioethyl ether; Ethylthioethane; Ethyl thioether; Ethyl sulfide; Ethyl monosulfide; Diethylthioether; Diethyl thioether; Diethyl sulphide; Diethyl sulfide; 3-Thiapentane; 1-(Ethylsulfanyl)ethane; 1,1'-Thiobisethane; (C2H5)2S

> <IUPAC_NAME>
1,1'-sulfanediyldiethane

> <FORMULA>
C4H10S

> <MASS>
90.18820

> <MONOISOTOPIC_MASS>
90.05032

> <CHARGE>
0

> <SMILES>
CCSCC

> <INCHI>
InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3

> <INCHIKEY>
LJSQFQKUNVCTIA-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1696909

> <CAS_REGISTRY_NUMBER>
352-93-2

> <GMELIN_REGISTRY_NUMBER>
1915

> <REAXYS_REGISTRY_NUMBER>
1696909

> <CHEMIDPLUS>
352-93-2

> <KEGG_COMPOUND_ACCESSION>
C02272

> <NIST_CHEMISTRY_WEBBOOK>
352-93-2

> <WIKIPEDIA_ACCESSION>
Diethyl_sulfide

> <PUBMED_CITATION>
16233376; 24140876

$$$$