sulfanylformonitrile amine

• ChemBase ID: 130833
• Molecular Formular: CH4N2S
• Molecular Mass: 76.12086
• Monoisotopic Mass: 76.00951914
• SMILES: C(#N)S.N
• Canonical SMILES: SC#N.N
• InChI: InChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3
• InChIKey: SOIFLUNRINLCBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfanylformonitrile amine
• IUPAC Traditional name: thiocyanate ion amine
• Synonyms: Ammonium rhodanide solution; Ammonium thiocyanate solution; Ammonium thiocyanate; Ammonium rhodanide; Ammonium thiocyanate solution; Ammonium thiocyanate concentrate; 硫氰化铵 溶液; 硫氰酸铵 溶液; 硫氰化铵; 硫氰酸铵

Database IDs

• CAS Number: 1762-95-4
• EC Number: 217-175-6; 231-791-2
• MDL Number: MFCD00011428
• Beilstein Number: 3595135
• PubChem SID: 24861075; 24853304; 24861735; 24847089; 24867011; 162225111; 24863727; 24858847; 24891179
• PubChem CID: 13417437

CALCULATED PROPERTIES

• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 0.49709612
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6371734
• LogD (pH = 7.4): -0.63722837
• Log P: 0.5057529
• Molar Refractivity: 15.3472 cm^3
• Polarizability: 5.5332227 Å^3

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 M at 20 °C, clear, colorless
• Apperance: white powder
• Melting Point: 152-154 °C(lit.)
• pH: 4.0-5.5 (25 °C, 1 M in H2O); 4.0-6.0 (25 °C, 50 mg/mL in H2O); 4.5-6.0 (20 °C, 5%); 4.5-6.0 (25 °C, 5% in H2O); 4.5-6.0 (25 °C, 50 mg/mL in H2O)

Safety Information

• RTECS: XK7875000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: -; 2; 3
• Risk Statements: 20/21/22-32-52/53; 32
• Safety Statements: 13-36/37-46-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H412; H332-H410; H411
• GHS Precautionary statements: P273; P273-P280; P273-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US); Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Purity: ≥97.5%; ≥98.5% (AT); ≥99%; ≥99% (AT); ≥99.0% (AT); 99.99% trace metals basis
• Concentration: 0.1 M; 0.1 M NH4SCN (0.1N); 1 M NH4SCN (1N); 1/10 N
• Grade: ACS reagent; ACS reagent, reag. ISO, reag. Ph. Eur.; puriss.; puriss. p.a.; purum p.a.; SAJ first grade; SAJ special grade
• Packaging: pkg of 0.1 mol (7.612 g NH4SCN)
• Ignition Residue: ≤0.01% (as SO4); ≤0.02% (as SO4); ≤0.025%; ≤0.025% (as SO4); ≤0.05% (as SO4)
• Impurities: ≤0.0005% heavy metals (as Pb); ≤0.001% heavy metals (as Pb); ≤0.004 meq/g I2 consumers; ≤0.005% I red. matter (as SO2); ≤0.005% insolubles; insoluble matter, passes filter test
• Cation Traces: Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤1 mg/kg; Fe: ≤3 ppm; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤5 ppm; heavy metals: ≤5 ppm; K: ≤100 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤100 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.005%; chloride (Cl-): ≤100 mg/kg; chloride (Cl-): ≤40 mg/kg; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.005%; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg; sulfide (S2-): ≤10 mg/kg
• Shelf Life: (limited shelf life, expiry date on the label)
• pH Range: 4.5 - 6.0
• Quality: crystallized; volumetric
• Factor: 1.000 ±0.002
• Product Line: BioUltra
• abs.: absorption1M/266 nm, H2O cut-off
• Linear Formula: NH4SCN

DETAILS

Sigma Aldrich - 34251

General description
Visit our Titration Center to learn more.

Sigma Aldrich - 35036

General description
Visit our Titration Center to learn more.

Sigma Aldrich - 38020

General description
Visit our Titration Center to learn more.
concentration after dilution to 1L: 0.1mol/L (0.1N); amount of substance 0.1mol (7.612 g NH4SCN)

Sigma Aldrich - 431354

Features and Benefits
Meets ACS reagent specifications.
Packaging
50, 250 g in poly bottle
Application
Applied in the formation of novel two-dimensional Cd-SCN coordination solids with unusual and tailorable, checkerboard- or herringbone-patterned structures these structures are important steps toward technologically useful materials.1

Sigma Aldrich - 09938

Other Notes
For the sequential degradation of peptides and proteins from their COOH termini1

Sigma Aldrich - 221988

Packaging
100, 500 g in poly bottle
2.5 kg in poly drum
Application
Applied in the formation of novel two-dimensional Cd-SCN coordination solids with unusual and tailorable, checkerboard- or herringbone-patterned structures these structures are important steps toward technologically useful materials.1

Sigma Aldrich - A7149

包装
100, 500 g in poly bottle