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18223-42-2
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Basic Information
CAS No.: 18223-42-2
Name: COPPER(I) THIOCYANATE
Molecular Structure:
Molecular Structure of 18223-42-2 (COPPER(I) THIOCYANATE)
Formula: CCuNS
Molecular Weight: 121.63
Synonyms: COPPER SULFOCYANIDE;Copper(I)thiocyanate;COPPER THIOCYANATE;
EINECS: 214-183-1
Density: 2.843 g/cm3
Melting Point: 1084°C
Boiling Point: 146 °C at 760 mmHg
Flash Point: 42.1 °C
Hazard Symbols: HarmfulXnDangerousN
Risk Codes: 20/21/22-32-50/53
Safety: 13-60-61
Transport Information: UN 3077
PSA: 23.79000
LogP: 0.01188
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Specification

This chemical is called Copper (I) thiocyanate, and its CAS registry number is 18223-42-2. With the molecular formula of CCuNS, its molecular weight is 121.63.

Other characteristics of the Copper (I) thiocyanate can be summarised as followings: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 0; (4)Exact Mass: 120.904746; (5)MonoIsotopic Mass: 120.904746; (6)Topological Polar Surface Area: 24.8; (7)Heavy Atom Count: 4; (8)Formal Charge: 0; (9)Complexity: 31.3; (10)Covalently-Bonded Unit Count: 2.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contacting with skin and if swallowed. If contacts with acid, it liberates very toxic gas. It's very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid releasing it to the environment. Refer to special instructions / safety data sheets. Keep it away from food, drink and animal foodstuffs. However, this material and its container must be disposed of as hazardous waste. 

You can still convert the following datas into molecular structure:
1.SMILES: C(#N)[S-].[Cu+]
2.InChI: InChI=1/CHNS.Cu/c2-1-3;/h3H;/q;+1/p-1
3.InChIKey: PDZKZMQQDCHTNF-REWHXWOFAO