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13689-92-4 molecular structure
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nickel(2+) ion bis(cyanosulfanide)

ChemBase ID: 109536
Molecular Formular: C2N2NiS2
Molecular Mass: 174.8582
Monoisotopic Mass: 173.88563291
SMILES and InChIs

SMILES:
[Ni+2].[S-]C#N.[S-]C#N
Canonical SMILES:
[S-]C#N.[S-]C#N.[Ni+2]
InChI:
InChI=1S/2CHNS.Ni/c2*2-1-3;/h2*3H;/q;;+2/p-2
InChIKey:
ALYMILAYQDOMFU-UHFFFAOYSA-L

Cite this record

CBID:109536 http://www.chembase.cn/molecule-109536.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
nickel(2+) ion bis(cyanosulfanide)
IUPAC Traditional name
nickel(2+) dithiocyanate
Synonyms
NICKEL THIOCYANATE
CAS Number
13689-92-4
PubChem SID
162096294
PubChem CID
6096174

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05211491 external link Add to cart Please log in.
Data Source Data ID
PubChem 6096174 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 0.49709612  H Acceptors
H Donor LogD (pH = 5.5) -0.6371734 
LogD (pH = 7.4) -0.63722837  Log P 0.5057529 
Molar Refractivity 16.0894 cm3 Polarizability 5.888356 Å3
Polar Surface Area 23.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05211491 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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