(4-Methylthio)toluene supplier

Name
(4-Methylthio)toluene
EINECS 210-773-8
CAS No. 623-13-2
Article Data191
CAS DataBase
Density 1.027g/cm³
Solubility
Melting Point
Formula C₈H₁₀S
Boiling Point 222.7 °C at 760 mmHg
Molecular Weight 138.233
Flash Point 74.2 °C
Transport Information
Appearance clear colorless to light yellow liquid
Safety 24/25
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Sulfide,methyl p-tolyl (6CI,7CI,8CI);(4-Methylphenyl) methyl sulfide;1-Methyl-4-(methylthio)benzene;4-(Methylthio)toluene;4-Methylthioanisole;Methyl 4-methylphenyl sulfide;Methyl 4-tolyl sulfane;Methyl p-methylphenylsulfide;Methyl p-tolyl sulfide;Methyl p-tolylthioether;NSC 6256;p-(Methylthio)toluene;p-Methylphenyl methyl sulfide;p-Methylthioanisole;p-Tolyl methyl sulfide;
PSA 25.30000
LogP 2.71690

(4-Methylthio)toluene Specification

The (4-Methylthio)toluene, with CAS registry number 623-13-2, has the systematic name of 1-methyl-4-(methylsulfanyl)benzene. And its has other registry number of 87494-89-1. This chemical is a kind of clear colorless to light yellow liquid. When use this chemical, please avoid contact with skin and eyes.

Physical properties of (4-Methylthio)toluene: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 149.6; (6)ACD/BCF (pH 7.4): 149.6; (7)ACD/KOC (pH 5.5): 1254.4; (8)ACD/KOC (pH 7.4): 1254.4; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 44.01 cm³; (15)Molar Volume: 136.3 cm³; (16)Polarizability: 17.44×10^-24cm³; (17)Surface Tension: 36.1 dyne/cm; (18)Enthalpy of Vaporization: 44.05 kJ/mol; (19)Vapour Pressure: 0.149 mmHg at 25°C.

Preparation: this chemical can be prepared by sulfuric acid dimethyl ester and 4-methyl-benzenethiol. This reaction will need reagent KOH, basic alumina. The reaction time is 4 hour(s). The yield is about 58%.

Uses of (4-Methylthio)toluene: it can be used to produce 1-methanesulfinyl-4-methyl-benzene. This reaction will need reagent PhIO, 3,5-disubstituted Cr(salen) and solvent CH₂Cl₂. The reaction time is 2.5 hour(s) with reaction temperature of 20 ℃. The yield is about 98%.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1ccc(cc1)C)C
(2)InChI: InChI=1/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
(3)InChIKey: VHILIAIEEYLJNA-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
(5)Std. InChIKey: VHILIAIEEYLJNA-UHFFFAOYSA-N

Product Name

(4-Methylthio)toluene

(4-Methylthio)toluene Specification

Related Products

Hot Products