Ketcher 11081715372D 1   1.00000     0.00000     0

  5  4  0     0  0            999 V2000
    9.7056   -7.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5676   -7.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4297   -7.6435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8288   -7.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9822   -7.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  1  4  1  0     0  0
  4  5  2  0     0  0
M  END
> <ID>
CHEBI:138314

> <NAME>
S-allylsulfenic acid

> <DEFINITION>
An S-alkylsulfenic acid in which the alkyl group is specified as allyl.

> <STAR>
3

> <SYNONYM>
allylsulfenic acid; allylsulfenate; 2-propenesulfenic acid

> <IUPAC_NAME>
prop-2-ene-1-SO--thioperoxol

> <FORMULA>
C3H6OS

> <MASS>
90.145

> <MONOISOTOPIC_MASS>
90.01394

> <CHARGE>
0

> <SMILES>
C(SO)C=C

> <INCHI>
InChI=1S/C3H6OS/c1-2-3-5-4/h2,4H,1,3H2

> <INCHIKEY>
WLHNIAVMSNXYHO-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
4361791

> <METACYC_ACCESSION>
CPD-9273

> <PUBMED_CITATION>
17174334; 19904959; 20225897; 21445384; 21936544; 21967544

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