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26399-71-3 molecular structure
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zinc(2+) ion bis(cyanosulfanide)

ChemBase ID: 111623
Molecular Formular: C2N2S2Zn
Molecular Mass: 181.5448
Monoisotopic Mass: 179.87943201
SMILES and InChIs

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

Cite this record

CBID:111623 http://www.chembase.cn/molecule-111623.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
zinc(2+) ion bis(cyanosulfanide)
IUPAC Traditional name
zinc, ion (zn2+) dithiocyanate
Synonyms
ZINC RHODANIDE
CAS Number
26399-71-3
PubChem SID
162097247
PubChem CID
68405

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05220050 external link Add to cart Please log in.
Data Source Data ID
PubChem 68405 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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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