2-(Isopropylthio)aniline

Base Information

• Chemical Name: 2-(Isopropylthio)aniline
• CAS No.: 6397-33-7
• Molecular Formula: C9H13NS
• Molecular Weight: 167.275
• Hs Code.: 2930909090
• European Community (EC) Number: 806-522-2
• DSSTox Substance ID: DTXSID70551231
• Wikidata: Q82430778
• Mol file: 6397-33-7.mol

Synonyms:2-(ISOPROPYLTHIO)ANILINE;6397-33-7;2-(propan-2-ylsulfanyl)aniline;2-propan-2-ylsulfanylaniline;MFCD08691961;EN300-108161;2-isopropylmercaptoaniline;2-(isopropylthio) aniline;2-(isopropylthio)benzenaMine;SCHEMBL1014289;2-(Isopropylthio)aniline x1hcl;2-(1-methylethylthio)benzenamine;AMY4732;DTXSID70551231;BZPPEJDGWPFYAL-UHFFFAOYSA-N;BDBM625973;2-[(Propan-2-yl)sulfanyl]aniline;BCP18377;2-(ISOPROPYLSULFANYL)ANILINE;AKOS000180483;AS-58160;SY123012;CS-0010400;Z316174692

Chemical Property of 2-(Isopropylthio)aniline

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Boiling Point: 261.275oC at 760 mmHg
• PKA: 2.77±0.10(Predicted)
• Flash Point: 111.815oC
• PSA: 51.32000
• Density: 1.063g/cm3
• LogP: 3.35050
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 167.07687059
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

97% ^*data from raw suppliers

2-(Isopropylthio)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)SC1=CC=CC=C1N

Technology Process of 2-(Isopropylthio)aniline

There total 6 articles about 2-(Isopropylthio)aniline 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: 96.5%

2-(isopropyl sulfanyl)nitrobenzene (70415-85-9) → 2-aminophenyl isopropyl sulphide (6397-33-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 24h;

Reference yield: 94.0%

2-iodo-propane (75-30-9) + 2-amino-benzenethiol (137-07-5) → 2-aminophenyl isopropyl sulphide (6397-33-7)

Guidance literature:

With hydrogen; sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 2h;

DOI:10.1002/ejoc.201901646

Reference yield: 55.0%

methyl isopropyl sulfide (1551-21-9) + Phenyl azide (622-37-7) → 2-aminophenyl isopropyl sulphide (6397-33-7)

Guidance literature:

With trifluorormethanesulfonic acid; trifluoroacetic acid; Ambient temperature;

upstream raw materials:

methyl isopropyl sulfide

Phenyl azide

2-iodo-propane

2-amino-benzenethiol

Downstream raw materials:

2-amino-benzenethiol

2-isopropylthio-N-allylaniline

1-iodo-2-(isopropylthio)benzene

N-(2-(isopropylthio)phenyl)-N'-(mesityl)-oxalamide