2-(Methylthio)aniline supplier

Name
2-(METHYLTHIO)ANILINE
EINECS 221-055-9
CAS No. 2987-53-3
Article Data56
CAS DataBase
Density 1.12 g/cm³
Solubility Soluble in water (less).
Melting Point 215 °C
Formula C₇H₉NS
Boiling Point 234.7 °C at 760 mmHg
Molecular Weight 139.221
Flash Point 95.8 °C
Transport Information UN 2810
Appearance Clear pale yellow liquid
Safety 36/37
Risk Codes 22
Molecular Structure
Hazard Symbols Xi；Xn
Synonyms Aniline,o-(methylthio)- (6CI,7CI,8CI);(2-(Methylthio)phenyl)amine;2-(Methylmercapto)aniline;2-(Methylsulfanyl)aniline;2-(Methylthio)aniline;2-(Methylthio)benzenamine;2-Aminophenyl methyl sulfide;2-Aminothioanisole;Methyl o-aminophenyl sulfide;NSC 41588;NSC 62853;NSC 9425;o-(Methylmercapto)aniline;o-(Methylthio)aniline;o-Aminophenyl methyl sulfide;o-Aminothioanisole;
PSA 51.32000
LogP 2.57190

2-(Methylthio)aniline Specification

The Benzenamine,2-(methylthio)-, with the CAS registry number 2987-53-3 and EINECS registry number 221-055-9, has the systematic name of 2-methylsulfanylaniline. It is a kind of clear pale yellow liquid, and belongs to the product category of Amines. And the molecular formula of the chemical is C₇H₉NS.

The characteristics of Benzenamine,2-(methylthio)- are as followings: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): 1.2; (5)#H bond acceptors: 1; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 51.32 Å²; (9)Index of Refraction: 1.612; (10)Molar Refractivity: 43 cm³; (11)Molar Volume: 123.7 cm³; (12)Polarizability: 17.05×10^-24cm³; (13)Surface Tension: 47 dyne/cm; (14)Density: 1.12 g/cm³; (15)Flash Point: 95.8 °C; (16)Enthalpy of Vaporization: 47.15 kJ/mol; (17)Boiling Point: 234.7 °C at 760 mmHg; (18)Vapour Pressure: 0.052 mmHg at 25°C.

Preparation of Benzenamine,2-(methylthio)-: This chemical can be prepared by 2-amino-benzenethiol and iodomethane. The reaction will need reagent NaOEt, and the menstruum ethanol. And the yield is about 65%.

Uses of Benzenamine,2-(methylthio)-: It can react with acetic acid anhydride to produce N-(2-methylsulfanyl-phenyl)-acetamide. This reaction will need reagent triethylamine, and the menstruum CHCl₃. And the yield is about 90%.

You should be cautious while dealing with this chemical. It is harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Nc1ccccc1SC
(2)InChI: InChI=1/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
(3)InChIKey: WBRPQQSADOCKCH-UHFFFAOYAI

Product Name

2-(METHYLTHIO)ANILINE

2-(Methylthio)aniline Specification

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