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Calcium thiocyanate tetrahydrate
Catalog Number
ACM65114149
CAS
65114-14-9
IUPAC Name
Calcium;dithiocyanate;tetrahydrate
Synonyms
Thiocyanic acid calcium salt tetrahydrate
Molecular Weight
228.3
Molecular Formula
C2H8CaN2O4S2
Product Information
Canonical SMILES
C(#N)[S-].C(#N)[S-].O.O.O.O.[Ca+2]
InChI
InChI=1S/2CHNS.Ca.4H₂O/c2*2-1-3;/h2*3H;4*1H2/q;+2;/p-2
InChI Key
HOQNOUSJUGLELS-UHFFFAOYSA-L
Melting Point
42.5-46.5 °C
Purity
99%+
Appearance
Solid
Complexity
80.7
Covalently-Bonded Unit Count
7
Exact Mass
227.9551399
Heavy Atom Count
11
Monoisotopic Mass
227.9551399
Rotatable Bond Count
0
Topological Polar Surface Area
53.6 Ų
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