Marvin  10260623042D          

  3  2  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    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
  2  1  1  0  0  0  0
  3  2  3  0  0  0  0
M  CHG  1   1  -1
M  END
> <ID>
CHEBI:18022

> <NAME>
thiocyanate

> <DEFINITION>
A pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45576; CHEBI:15234; CHEBI:24926; CHEBI:26954

> <SYNONYM>
Thiozyanat; thiocyanate ion (1-); THIOCYANATE ION; thiocyanate; thiocyanate; SCN(-); rhodanide; Rhodanid; NCS-; N#C-S(-); [S-C#N](-)

> <IUPAC_NAME>
nitridothiocarbonate(IV); nitridothiocarbonate(1-); nitridosulfidocarbonate(1-)

> <FORMULA>
CNS

> <MASS>
58.08344

> <MONOISOTOPIC_MASS>
57.97569

> <CHARGE>
-1

> <SMILES>
[S-]C#N

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

> <INCHIKEY>
ZMZDMBWJUHKJPS-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
1901207

> <CAS_REGISTRY_NUMBER>
302-04-5

> <GMELIN_REGISTRY_NUMBER>
1089

> <CHEMIDPLUS>
302-04-5

> <NIST_CHEMISTRY_WEBBOOK>
302-04-5

> <PDBECHEM_ACCESSION>
SCN

$$$$