Cas no 302-04-5 (Thiocyanate)

Thiocyanate structure
Thiocyanate structure
Product Name:Thiocyanate
CAS No:302-04-5
MF:CNS
MW:58.0823984146118
CID:305934
PubChem ID:9322
Update Time:2025-04-19

Thiocyanate Chemical and Physical Properties

Names and Identifiers

    • Thiocyanate
    • ZMZDMBWJUHKJPS-UHFFFAOYSA-M
    • Q60839
    • NCS-
    • Rhodanid
    • Thiocyanate ion
    • Thiocyanate anion
    • cyanosulfanide
    • nitridosulfidocarbonate(1-)
    • ZBKFYXZXZJPWNQ-UHFFFAOYSA-N
    • Weedazol tl
    • Rhodanide
    • N#C-S(-)
    • Thiozyanat
    • BDBM26983
    • nitridothiocarbonate(IV)
    • nitridothiocarbonate(1-)
    • DTXSID8047763
    • NS00134117
    • SCN(-1)
    • THIOCYANIC ACID, ION(1-)
    • 302-04-5
    • Thiocyanid
    • CHEBI:18022
    • UNII-O748SU14OM
    • NCGC00248651-02
    • Thallium thiocyanate
    • Silver thiocyanate agscn
    • SCN-
    • SCN
    • O748SU14OM
    • Thiocyanate ion (1-)
    • CHEMBL127789
    • Ammonium sulfocyanate
    • hydrogen thiocyanate
    • [S-C#N](-)
    • NCGC00248651-01
    • THIOCYANATE (NCS1-)
    • BDBM62293
    • SCN(-)
    • BDBM50098587
    • Thiocyanate ion (2-)
    • ISOTHIOCYANIC ACID, ION(1-)
    • 71048-69-6
    • Inchi： 1S/CHNS/c2-1-3/h3H/p-1
    • InChI Key： ZMZDMBWJUHKJPS-UHFFFAOYSA-M
    • SMILES： [S-]C#N

Computed Properties

  • Exact Mass: 57.97510
  • Monoisotopic Mass: 57.975145
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 3
  • Rotatable Bond Count: 0
  • Complexity: 31.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 24.8
  • XLogP3: 0.6

Experimental Properties

  • Density: 1.126
  • Boiling Point: 146°Cat760mmHg
  • Flash Point: 42.1°C
  • PSA: 23.79000
  • LogP: 0.01438

Thiocyanate Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Acetone ;  48 h, rt
Reference
Thermophysical properties of ionic liquid with thiocyanate anion: effect of cations
Gonfa, G.; et al, Advanced Materials Research (Durnten-Zurich, 2013, 626, 686-690

Production Method 2

Reaction Conditions
1.1 12 h, reflux
2.1 Solvents: Acetone ;  24 h
Reference
Preparation of ionic liquids containing unsaturated double bonds for use in cellulose dissolving and derivatizing
, China, , ,

Production Method 3

Reaction Conditions
Reference
Reactivity of anionic nucleophiles in ionic liquids and molecular solvents
Betti, Cecilia; Landini, Dario; Maia, Angelamaria, Tetrahedron, 2008, 64(8), 1689-1695

Production Method 4

Reaction Conditions
1.1 24 h, 70 °C
Reference
A silver and water free metathesis reaction: a route to ionic liquids
Srour, Hassan; Rouault, Helene; Santini, Catherine C.; Chauvin, Yves, Green Chemistry, 2013, 15(5), 1341-1347

Production Method 5

Reaction Conditions
1.1 Solvents: Acetone ;  24 h
Reference
Preparation of ionic liquids containing unsaturated double bonds for use in cellulose dissolving and derivatizing
, China, , ,

Production Method 6

Reaction Conditions
1.1 -
2.1 Solvents: Acetone ;  48 h, rt
Reference
Thermophysical properties of ionic liquid with thiocyanate anion: effect of cations
Gonfa, G.; et al, Advanced Materials Research (Durnten-Zurich, 2013, 626, 686-690

Production Method 7

Reaction Conditions
Reference
Reactivity of anionic nucleophiles in ionic liquids and molecular solvents
Betti, Cecilia; Landini, Dario; Maia, Angelamaria, Tetrahedron, 2008, 64(8), 1689-1695

Thiocyanate Raw materials

Thiocyanate Preparation Products

Thiocyanate Related Literature

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