The Benzonitrile,2-(methylthio)-, with the CAS registry number 6609-54-7, is also known as 2-(Methylthio)benzonitrile. This chemical's molecular formula is C₈H₇NS and molecular weight is 149.21288. Its IUPAC name is called 2-methylsulfanylbenzonitrile.

Physical properties of Benzonitrile,2-(methylthio)-: (1)ACD/LogP: 2.34; (2)ACD/LogD (pH 5.5): 2.34; (3)ACD/LogD (pH 7.4): 2.34; (4)ACD/BCF (pH 5.5): 35.41; (5)ACD/BCF (pH 7.4): 35.41; (6)ACD/KOC (pH 5.5): 447.2; (7)ACD/KOC (pH 7.4): 447.2; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.589; (11)Molar Refractivity: 43.95 cm³; (12)Molar Volume: 130.3 cm³; (13)Surface Tension: 48.3 dyne/cm; (14)Density: 1.14 g/cm³; (15)Flash Point: 113.4 °C; (16)Enthalpy of Vaporization: 50.18 kJ/mol; (17)Boiling Point: 263.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00999 mmHg at 25°C.

Preparation: this chemical can be prepared by hydroxyimino-(2-methylsulfanyl-phenyl)-acetic acid methyl ester. This reaction will need reagent acetic anhydride and solvent pyridine. The reaction time is 24 hours. The yield is about 83%.

Uses of Benzonitrile,2-(methylthio)-: it can be used to produce (4S)-2-((2-methylthio)phenyl)-4-methyl-1,3-oxazoline by heating. This reaction will need reagent ZnCl₂ and solvent chlorobenzene with reaction time of 48 hours. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CSC1=CC=CC=C1C#N
(2)InChI: InChI=1S/C8H7NS/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3
(3)InChIKey: PXZSANDJGNKIIA-UHFFFAOYSA-N