Calcium thiocyanate tetrahydrate

• CAS: 65114-14-9
• Catalog Number: ACM65114149
• Category: Metal & Ceramic Materials
• Molecular Weight: 228.3
• Molecular Formula: C2H8CaN2O4S2
• Synonyms: Thiocyanic acid calcium salt tetrahydrate
• IUPAC Name: Calcium;dithiocyanate;tetrahydrate
• 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
• Appearance: Solid
• Complexity: 80.7
• Covalently-Bonded Unit Count: 7
• Exact Mass: 227.9551399
• Formal Charge: 0
• H-Bond Acceptor: 8
• H-Bond Donor: 4
• Heavy Atom Count: 11
• Monoisotopic Mass: 227.9551399
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 53.6 Ų

Custom Q&A

What is the PubChem CID for Calcium thiocyanate tetrahydrate?

PubChem CID 71311243.

What is the molecular formula of Calcium thiocyanate tetrahydrate?

The molecular formula is C2H8CaN2O4S2.

What are some synonyms for Calcium thiocyanate tetrahydrate?

One synonym is 65114-14-9 Calcium thiocyanate tetrahydrate, 95%.

What is the molecular weight of Calcium thiocyanate tetrahydrate?

The molecular weight is 228.3 g/mol.

What are the component compounds of Calcium thiocyanate tetrahydrate?

The component compounds are CID 5460341 (Calcium), CID 781 (Thiocyanic acid), and CID 962 (Water).

What is the IUPAC name of Calcium thiocyanate tetrahydrate?

The IUPAC name is calcium;dithiocyanate;tetrahydrate.

What is the InChI of Calcium thiocyanate tetrahydrate?

The InChI is InChI=1S/2CHNS.Ca.4H2O/c2*2-1-3;;;;;/h2*3H;;4*1H2/q;;+2;;;;/p-2.

What is the InChIKey of Calcium thiocyanate tetrahydrate?

The InChIKey is HOQNOUSJUGLELS-UHFFFAOYSA-L.

What is the canonical SMILES of Calcium thiocyanate tetrahydrate?

The canonical SMILES is C(#N)[S-].C(#N)[S-].O.O.O.O.[Ca+2].

What is the EC Number of Calcium thiocyanate tetrahydrate?

The EC Number is 629-591-9.