Ketcher 03061716282D 1   1.00000     0.00000     0

  4  3  0     0  0            999 V2000
   -0.1885    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6776    2.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0545    1.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0545    0.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0     0  0
  1  3  1  0     0  0
  3  4  1  0     0  0
M  END
> <ID>
CHEBI:133907

> <NAME>
hypothiocyanous acid

> <DEFINITION>
A  sulfur oxoacid that is sulfenic acid in which the hydrogen attached to the sulfur has been replaced by a cyano group.

> <STAR>
3

> <SYNONYM>
hypothiocyanous acid; Hypothiocyanite; hypocyanous acid; cyanosulfoxylic acid; (hydroxysulfanyl)formonitrile

> <IUPAC_NAME>
nitrilomethane-SO-thioperoxol

> <FORMULA>
CHNOS

> <MASS>
75.091

> <MONOISOTOPIC_MASS>
74.97788

> <CHARGE>
0

> <SMILES>
C(#N)SO

> <INCHI>
InChI=1S/CHNOS/c2-1-4-3/h3H

> <INCHIKEY>
ZCZCOXLLICTZAH-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
63296-34-4

> <REAXYS_REGISTRY_NUMBER>
2958668

> <PUBMED_CITATION>
19705807; 19821602; 22031955; 22053976; 23088652; 23540488; 24112082; 24120969; 24632382; 24657078; 24928513; 25172223; 25309750; 25393952; 25795019; 26453918; 26608498; 26616646; 26898502; 27013775; 27343172; 27350402; 27629563; 27864363

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