3-(METHYLTHIO)ANILINE

Reported in EPA TSCA Inventory.

The IUPAC name of m-Aminophenyl methyl sulfide is 3-methylsulfanylaniline. With the CAS registry number 1783-81-9, it is also named as m-Aminothioanisole. The product's categories are Amines; Miscellaneous. It is clear dark brown liquid which is toxic and flammable. When heated to decomposition it emits toxic vapors of NO_x and SO_x. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.24; (6)ACD/BCF (pH 7.4): 7.44; (7)ACD/KOC (pH 5.5): 142.39; (8)ACD/KOC (pH 7.4): 146.43; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 43 cm³; (14)Molar Volume: 123.7 cm³; (15)Polarizability: 17.05×10^-24 cm³; (16)Surface Tension: 47 dyne/cm; (17)Enthalpy of Vaporization: 53.21 kJ/mol; (18)Vapour Pressure: 0.00182 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 139.04557; (21)MonoIsotopic Mass: 139.04557; (22)Topological Polar Surface Area: 51.3; (23)Heavy Atom Count: 9; (24)Complexity: 85.

Uses of m-Aminophenyl methyl sulfide: It is used as pharmaceutical intermediate. It also can react with 2-chloro-nicotinic acid to get 2-(3-methylsulfanyl-phenylamino)-nicotinic acid. The yield is 96%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:S(c1cc(N)ccc1)C
2. InChI:InChI=1/C7H9NS/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3
3. InChIKey:KCHLDNLIJVSRPK-UHFFFAOYAE

The following are the toxicity data which has been tested.