CAS 1762-95-4|ammonium thiocyanate|AMMONIUM THIOCYANATE|AMMONIUM THIOCYANATE ACS REAGENT GRADE|ammonium cyanosulfanide|Ammonium rhodanide|Ammonium thiocyanate|硫氰酸铵|Ammonium thiocyanate, 0.1N Sta...

General Information

Structure

Molecular Formula

CH₄N₂S

Molecular Mass

76.12086

Exact Mass

76.00951914

Charge

InChI

InChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3

InChIKey

SOIFLUNRINLCBN-UHFFFAOYSA-N

Canonic Smiles

[S-]C#N.[NH4+]

Isomeric Smiles

[NH4+].[S-]C#N

Calculated Properties

JChem

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

16.0894

Polarizability

5.888356

Polar Surface Area

23.79

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

ammonium thiocyanate

Synonyms

AMMONIUM THIOCYANATEAMMONIUM THIOCYANATE ACS REAGENT GRADEAmmonium rhodanideAmmonium thiocyanate硫氰酸铵Ammonium thiocyanate, 0.1N Standardized SolutionThiocyanic acid ammonium saltAmmonium sulfocyanide硫氰酸铵, 0.1N 标准溶液硫氰酸铵, ACSAmmonium thiocyanate, ACS

IUPAC name

ammonium cyanosulfanide

Names and Identifiers

Registration numbers

CHEBI ID

PubChem CID

CAS Number

Chemspider ID

Wikipedia Title

EC Number

PubChem SID

Merck Index

Beilstein Number

MDL Number

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

White powder

ACS Reagent Grade
Purity: >97.5%

Molecule Details

References

PubChem Literature

From Data Sources

• Thiocyanogen bromide can be generated in situ by reaction with bromine in acetic acid, e.g. in the thiocyanation of N,N-dimethylaniline to 4-N,N-dimethylaminophenylisothiocyanate: Org. Synth. Coll., 2, 574 (1943).

• Also useful for the conversion of arylamines to thioureas either indirectly via benzoyl isothiocyanate: Org. Synth. Coll., 3, 735 (1955), or directly, but in lower yield, by reaction of ammonium thiocyanate with the amine in the presence of HCl: Org. Synth. Coll., 4, 180 (1963).

• In combination with CAN in t-butanol, epoxides are converted to thiiranes in high yield: Synthesis, 821 (1996). The same conversion can also be effected in the presence of SbCl₃ in acetonitrile: Indian J. Chem., 38B, 605 (1999). CAN also promotes the direct conversion of activated aryl systems, e.g. indoles, pyrroles and N,N-dialkylanilines to aryl thiocyanates: Tetrahedron Lett., 40, 1195 (1999).

References

Bioactivity

PubChem BioAssay

Bioactivity