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1762-95-4 molecular structure
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sulfanylformonitrile amine

ChemBase ID: 130833
Molecular Formular: CH4N2S
Molecular Mass: 76.12086
Monoisotopic Mass: 76.00951914
SMILES and InChIs

SMILES:
C(#N)S.N
Canonical SMILES:
SC#N.N
InChI:
InChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3
InChIKey:
SOIFLUNRINLCBN-UHFFFAOYSA-N

Cite this record

CBID:130833 http://www.chembase.cn/molecule-130833.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 23.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 0.49709612 
H Acceptors H Donor
LogD (pH = 5.5) -0.6371734  LogD (pH = 7.4) -0.63722837 
Log P 0.5057529  Molar Refractivity 15.3472 cm3
Polarizability 5.5332227 Å3

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble1 M at 20 °C, clear, colorless expand Show data source
Apperance
white powder expand Show data source
Melting Point
152-154 °C(lit.) expand Show data source
pH
4.0-5.5 (25 °C, 1 M in H2O) expand Show data source
4.0-6.0 (25 °C, 50 mg/mL in H2O) expand Show data source
4.5-6.0 (20 °C, 5%) expand Show data source
4.5-6.0 (25 °C, 5% in H2O) expand Show data source
4.5-6.0 (25 °C, 50 mg/mL in H2O) expand Show data source
RTECS
XK7875000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
- expand Show data source
2 expand Show data source
3 expand Show data source
Risk Statements
20/21/22-32-52/53 expand Show data source
32 expand Show data source
Safety Statements
13-36/37-46-61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332-H412 expand Show data source
H332-H410 expand Show data source
H411 expand Show data source
GHS Precautionary statements
P273 expand Show data source
P273-P280 expand Show data source
P273-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Supplemental Hazard Statements
Contact with acids liberates very toxic gas. expand Show data source
Purity
≥97.5% expand Show data source
≥98.5% (AT) expand Show data source
≥99% expand Show data source
≥99% (AT) expand Show data source
≥99.0% (AT) expand Show data source
99.99% trace metals basis expand Show data source
Concentration
0.1 M expand Show data source
0.1 M NH4SCN (0.1N) expand Show data source
1 M NH4SCN (1N) expand Show data source
1/10 N expand Show data source
Grade
ACS reagent expand Show data source
ACS reagent, reag. ISO, reag. Ph. Eur. expand Show data source
puriss. expand Show data source
puriss. p.a. expand Show data source
purum p.a. expand Show data source
SAJ first grade expand Show data source
SAJ special grade expand Show data source
Packaging
pkg of 0.1 mol (7.612 g NH4SCN) expand Show data source
Ignition Residue
≤0.01% (as SO4) expand Show data source
≤0.02% (as SO4) expand Show data source
≤0.025% expand Show data source
≤0.025% (as SO4) expand Show data source
≤0.05% (as SO4) expand Show data source
Impurities
≤0.0005% heavy metals (as Pb) expand Show data source
≤0.001% heavy metals (as Pb) expand Show data source
≤0.004 meq/g I2 consumers expand Show data source
≤0.005% I red. matter (as SO2) expand Show data source
≤0.005% insolubles expand Show data source
insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤5 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤1 mg/kg expand Show data source
Fe: ≤3 ppm expand Show data source
Fe: ≤5 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
heavy metals (as Pb): ≤5 ppm expand Show data source
heavy metals: ≤5 ppm expand Show data source
K: ≤100 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤100 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.005% expand Show data source
chloride (Cl-): ≤100 mg/kg expand Show data source
chloride (Cl-): ≤40 mg/kg expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
sulfate (SO42-): ≤0.005% expand Show data source
sulfate (SO42-): ≤100 mg/kg expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
sulfide (S2-): ≤10 mg/kg expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
pH Range
4.5 - 6.0 expand Show data source
Quality
crystallized expand Show data source
volumetric expand Show data source
Factor
1.000 ±0.002 expand Show data source
Product Line
BioUltra expand Show data source
abs.
absorption1M/266 nm, H2O cut-off expand Show data source
Linear Formula
NH4SCN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 34251 external link
General description
Visit our Titration Center to learn more.
Sigma Aldrich - 35036 external link
General description
Visit our Titration Center to learn more.
Sigma Aldrich - 38020 external link
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 - 09938 external link
Other Notes
For the sequential degradation of peptides and proteins from their COOH termini1
Sigma Aldrich - 221988 external link
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 external link
包装
100, 500 g in poly bottle
Sigma Aldrich - 431354 external link
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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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