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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzenethiol, 4-amino-3-fluoro-

Sc1ccc(c(c1)F)N Request for Quotation
Chemical Name: Benzenethiol, 4-amino-3-fluoro-
CAS Number: 15178-48-0
Product Number: AG007E0K(AGN-PC-001LH3)
Synonyms:
MDL No:
Molecular Formula: C6H6FNS
Molecular Weight: 143.1819

Identification/Properties

Computed Properties
Molecular Weight:
143.179g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
143.02g/mol
Monoisotopic Mass:
143.02g/mol
Topological Polar Surface Area:
27A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
99.1
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

Safety Information

GHS Pictogram:
Signal Word:
Danger
UN#:
3259
Hazard Statements:
H302-H318
Precautionary Statements:
P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501
Class:
8
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Amino-3-fluorobenzenethiol, also known as $name$, is a versatile compound widely used in chemical synthesis due to its unique properties and reactivity. This compound serves as a crucial building block in the development of various pharmaceuticals, agrochemicals, and specialty chemicals.1. Cross-Coupling Reactions: $name$ is frequently employed in palladium-catalyzed cross-coupling reactions to form C-N and C-S bonds. These reactions are pivotal in the pharmaceutical industry for the synthesis of complex molecules such as anti-cancer drugs and antiviral agents.2. Electrophilic Substitution: $name$ can undergo electrophilic substitution reactions, where it acts as a nucleophile to replace other functional groups. This process is instrumental in the synthesis of dyes, pigments, and organic intermediates.3. Sulfur Chemistry: Due to the presence of a thiol group in its structure, $name$ can participate in sulfur chemistry reactions. This capability makes it indispensable in the production of specialty chemicals like rubber accelerators and corrosion inhibitors.4. Medicinal Chemistry: $name$ plays a crucial role in medicinal chemistry by serving as a key intermediate in the synthesis of various pharmaceuticals. Its incorporation into drug molecules enhances their bioavailability, potency, and specificity towards target biomolecules.Overall, $name$ is a valuable compound in chemical synthesis, enabling the efficient and controlled construction of diverse molecular frameworks essential for numerous industrial applications.