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Name |
2-(Methylthio)aniline |
EINECS | 221-055-9 |
CAS No. | 2987-53-3 | Density | 1.12 g/cm3 |
PSA | 51.32000 | LogP | 2.57190 |
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; |
Article Data | 56 |
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