Marvin  12070500402D          

  3  2  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  1  1  0  0  0  0
M  END
> <ID>
CHEBI:29200

> <NAME>
thiocyanic acid

> <DEFINITION>
A hydracid that is cyanic acid in which the oxygen is replaced by a sulfur atom.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:26956; CHEBI:9550

> <SYNONYM>
Thiocyanic acid; N#C-SH; HSCN; HS-C#N; [CN(SH)]; [C(N)(SH)]

> <IUPAC_NAME>
thiocyanic acid; nitridosulfanidocarbon

> <FORMULA>
CHNS

> <MASS>
59.09000

> <MONOISOTOPIC_MASS>
58.98297

> <CHARGE>
0

> <SMILES>
SC#N

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

> <INCHIKEY>
ZMZDMBWJUHKJPS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
463-56-9

> <GMELIN_REGISTRY_NUMBER>
25178

> <CHEMIDPLUS>
463-56-9

> <KEGG_COMPOUND_ACCESSION>
C01755

> <PDBECHEM_ACCESSION>
SCN

$$$$