3-Aminobenzenethiol

Base Information

• Chemical Name: 3-Aminobenzenethiol
• CAS No.: 22948-02-3
• Molecular Formula: C6H7 N S
• Molecular Weight: 125.194
• Hs Code.: 29309070
• European Community (EC) Number: 245-344-4
• UNII: C28JQS4Q5M
• DSSTox Substance ID: DTXSID00177488
• Nikkaji Number: J318.369F
• Wikidata: Q72442617
• Mol file: 22948-02-3.mol

Synonyms:3-Aminothiophenol;22948-02-3;3-AMINOBENZENETHIOL;Benzenethiol, 3-amino-;3-Mercaptoaniline;3-amino thiophenol;3-aminobenzene-1-thiol;C28JQS4Q5M;EINECS 245-344-4;m-Amino Thiophenol;m-aminothiophenol;3-amino-benzenethiol;MFCD00007791;3-Aminothiophenol, 96%;UNII-C28JQS4Q5M;SCHEMBL61220;KFFUEVDMVNIOHA-UHFFFAOYSA-;DTXSID00177488;BCP18600;BBL027659;STK802232;AKOS005207015;AT20842;CS-W013510;PS-3256;AC-10867;FT-0614900;EN300-82398;AMMONIUMHEPTADECAFLUORO-1-OCTANESULFONATE;W-107447

Chemical Property of 3-Aminobenzenethiol

Chemical Property:

• Appearance/Colour: pale-yellow liquid
• Vapor Pressure: 0.00929mmHg at 25°C
• Melting Point: 97 C
• Refractive Index: n20/D 1.656(lit.)
• Boiling Point: 265.2 °C at 760 mmHg
• PKA: 6.75±0.10(Predicted)
• Flash Point: 79 ºC
• PSA: 64.82000
• Density: 1.179
• LogP: 2.13870
• Sensitive.: Stench
• Water Solubility.: Soluble in water.
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 125.02992040
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

3-Aminothiophenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 20/21/22-34-37
• Safety Statements: 26-27-36/37/39-45-25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S)N
• Uses: 3-Aminothiophenol was used as analyte during the fabrication of top-to-bottom joined system consisting of a silver nanowire and nanospheres. It was used in formation of polyaniline-analog monolayer on gold surface by anchoring to the gold substrate through the thiol moiety.

Technology Process of 3-Aminobenzenethiol

There total 12 articles about 3-Aminobenzenethiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 82.0%

3-Iodoaniline (626-01-7) → 3-aminothiophenol (22948-02-3)

Guidance literature:

With copper(l) iodide; thiourea; L-proline; sodium t-butanolate; In dimethyl sulfoxide; at 90 ℃; for 24h; Inert atmosphere;

DOI:10.1002/cjoc.201090246

Reference yield:

bis(3-nitrophenyl) disulfide (537-91-7) → 3-aminothiophenol (22948-02-3)

Guidance literature:

With sodium amalgam; ethanol;

Reference yield:

bis(3-aminophenyl)-disulfide (40897-41-4) → 3-aminothiophenol (22948-02-3)

Guidance literature:

With triphenylphosphine; In 1,4-dioxane; water; at 30 ℃; Rate constant;

DOI:10.1021/ja00826a021

upstream raw materials:

3-nitrophenyl thiocyanate

bis(3-nitrophenyl) disulfide

3-nitrobenzenesulphonyl chloride

bis(3-aminophenyl)-disulfide

Downstream raw materials:

bis-(3-amino-phenylsulfanyl)-methane

S-[3-(acetylamino)phenyl] ethanethioate

1,2-bis-(3-amino-phenylsulfanyl)-ethane

3-(Quinolin-2-ylmethylsulfanyl)-phenylamine

Refernces

• 1、 Zhang, Mingbao,Ryckman, David,Chen, Guohua,MacMillan, Eric,Duquette, Jason. "Practical and scaleable syntheses of 3-hydroxythiophenol". . p. 112 - 116. Retrieved 2007/10/03.