Copper (I) thiocyanate

CAT: 0127-IN9847-01Size: 50 gDry Ice: NoHazardous: No

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CAS Number

1111-67-7

MDL Number

MFCD00010980

Purity

=95%

Smiles

[Cu+].[S-]C#N

Chemical Information

Cuprous thiocyanate

CAS Number	1111-67-7
PubChem CID	61264
IUPAC Name	copper(1+) thiocyanate
Molecular Formula	CCuNS
Molecular Weight	121.63
Topological Polar Surface Area	24.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	4
Formal Charge	0
Complexity	31

SMILES

C(#N)[S-].[Cu+]

InChI

InChI=1S/CHNS.Cu/c2-1-3;/h3H;/q;+1/p-1

InChIKey

PDZKZMQQDCHTNF-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1111-67-7

CID: 61264

Formula: CCuNS

MW: 121.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	121.63
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	120.904742
Monoisotopic Mass	120.904742
Topological Polar Surface Area	24.8 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	31.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
IN10414-01	Copper (I) Diphenylphosphinate
IN1558-01	Copper (I) iodide
IN1542-01	Copper (I) chloride
IN1559-01	Copper (I) iodide
IN1539-01	Copper (I) bromide
IN1594	Copper (I) sulphide
IN1538-01	Copper (I) bromide
IN1534-01	Copper (I) acetate
IN1582-01	Copper (I) selenide
IN10415-01	Copper (I) oxide

Catalog	Name
GX5762-250g	Copper (I) thiocyanate
C27640-01	Copper (II) thiocyanate
SB0897	Sodium thiocyanate
GB0244	Guanidine thiocyanate
FM171842-01	Methylamine thiocyanate
TYD-01372-01	Tetrabutylammonium thiocyanate
300978	Sinapine thiocyanate
GK3645-1kg	Ammonium thiocyanate
GE7344-100g	Potassium thiocyanate
sc-269957	Nickel thiocyanate