Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

SCN : Summary

Code

SCN

One-letter code

X

Molecule name

THIOCYANATE ION

Systematic names

ProgramVersionName
ACDLabs 10.04 thiocyanate
OpenEye OEToolkits 1.5.0 thiocyanate

Formula

C N S

Formal charge

-1

Molecular weight

58.082 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [S-]C#N
SMILES CACTVS 3.341 [S-]C#N
SMILES OpenEye OEToolkits 1.5.0 C(#N)[S-]
Canonical SMILES CACTVS 3.341 [S-]C#N
Canonical SMILES OpenEye OEToolkits 1.5.0 C(#N)[S-]

IUPAC InChI

InChI=1S/CHNS/c2-1-3/h3H/p-1

IUPAC InChI key

ZMZDMBWJUHKJPS-UHFFFAOYSA-M
SCN

wwPDB Information

Atom count

3 (3 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAI

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned