3-(Methylamino)benzene-1-thiol

Base Information

Chemical Name:3-(Methylamino)benzene-1-thiol
CAS No.:95901-61-4
Molecular Formula:C₇H₉NS
Molecular Weight:139.221
Hs Code.:
European Community (EC) Number:843-934-1

Synonyms:SCHEMBL4974177;3-(methylamino)benzene-1-thiol;AKOS006380049;95901-61-4;EN300-7460012

Suppliers and Price of 3-(Methylamino)benzene-1-thiol

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-(Methylamino)benzene-1-thiol

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:139.04557046
Heavy Atom Count:9
Complexity:85

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CNC1=CC(=CC=C1)S

Technology Process of 3-(Methylamino)benzene-1-thiol

There total 2 articles about 3-(Methylamino)benzene-1-thiol 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: 33.0%

: 95901-60-3
N-(3-mercaptophenyl)formamide

: 95901-61-4
3-(methylamino)benzenethiol

: 3,3’-disulfanediyl bis(N-methylaniline)

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; at 70 ℃; for 16h; Inert atmosphere;
DOI:10.1021/acs.jmedchem.0c01484

Reference yield:

: 22948-02-3
3-aminothiophenol

: 95901-61-4
3-(methylamino)benzenethiol

Guidance literature:: Multi-step reaction with 2 steps

1: formic acid / 16 h / 20 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 16 h / 70 °C

With lithium aluminium tetrahydride; formic acid; In tetrahydrofuran;

Reference yield: 13.1%

: 95901-61-4
3-(methylamino)benzenethiol

: (4R,5R)-5-((2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl)-4-methyltetrahydrofuran-2-yl acetate

: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-((2R,3R,5S)-3-methyl-5-((3-(methylamino)phenyl)thio)tetrahydrofuran-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

Guidance literature:: With N,O-bis-(trimethylsilyl)-acetamide; trimethylsilyl trifluoromethanesulfonate; In acetonitrile; at 50 ℃; for 1.5h; Inert atmosphere;
DOI:10.1021/acs.jmedchem.0c01484