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2092-16-2 molecular structure
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calcium bis(cyanosulfanide)

ChemBase ID: 108146
Molecular Formular: C2CaN2S2
Molecular Mass: 156.2428
Monoisotopic Mass: 155.91288099
SMILES and InChIs

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

Cite this record

CBID:108146 http://www.chembase.cn/molecule-108146.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
calcium bis(cyanosulfanide)
IUPAC Traditional name
calcium(2+) dithiocyanate
Synonyms
CALCIUM THIOCYANATE
CAS Number
2092-16-2
PubChem SID
162094368
PubChem CID
159641

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05206240 external link Add to cart Please log in.
Data Source Data ID
PubChem 159641 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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