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SCN : Summary
Code
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SCN
|
One-letter code
|
X
|
Molecule name
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THIOCYANATE ION
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Systematic names
|
|
Formula
|
C N S
|
Formal charge
|
-1
|
Molecular weight
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58.082 Da
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SMILES
|
Type | Program | Version | Descriptor |
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 |
|
wwPDB Information |
Atom count
|
3 (3 without Hydrogen)
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Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAI
|
Is modified
|
No
|
Standard parent
|
Not Assigned
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Defined at
|
1999-07-08
|
Last modified at
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2011-06-04
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Status
|
Released
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Obsoleted
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Not Assigned
|
|