Benzenamine, 4-[(4-isothiocyanatophenyl)azo]-N,N-dimethyl-


Chemical Name: Benzenamine, 4-[(4-isothiocyanatophenyl)azo]-N,N-dimethyl-
CAS Number: 7612-98-8
Product Number: AG003K9N(AGN-PC-0JLTOC)
Synonyms:
MDL No:
Molecular Formula: C15H14N4S
Molecular Weight: 282.36346

Identification/Properties


Properties
MP:
167-171℃ (lit.)
Form:
Solid
Computed Properties
Molecular Weight:
282.365g/mol
XLogP3:
5.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
282.094g/mol
Monoisotopic Mass:
282.094g/mol
Topological Polar Surface Area:
72.4A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
360
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:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



4-N,N-Dimethylaminoazobenzene-4′-isothiocyanate is a versatile chemical compound commonly used in chemical synthesis as a key reagent for the modification of aromatic amines. In various synthetic pathways, this compound serves as a robust tool for introducing the isothiocyanate functional group onto target molecules, enabling the development of new materials and compounds with enhanced properties. Its application in chemical synthesis extends to the formation of dyes, fluorescent molecules, and bioconjugates, making it an essential component in the creation of innovative products in the pharmaceutical, materials science, and biotechnology industries.