2-Chloroethyl cyclohexyl sulphide supplier

Name
2-Chloroethyl cyclohexyl sulphide
EINECS
CAS No. 53787-05-6
Article Data5
CAS DataBase
Density 1.061 g/cm³
Solubility
Melting Point
Formula C₈H₁₅ClS
Boiling Point 259.997 °C at 760 mmHg
Molecular Weight 178.72
Flash Point 109.366 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclohexane, [(2-chloroethyl)thio]-;
PSA 25.30000
LogP 3.29110

2-Chloroethyl cyclohexyl sulphide Specification

The 2-Chloroethyl cyclohexyl sulphide, with the CAS registry number 53787-05-6, is also known as Cyclohexane, [(2-chloroethyl)thio]-. This chemical's molecular formula is C₈H₁₅ClS and molecular weight is 178.72. What's more, its systematic name is [(2-Chloroethyl)sulfanyl]cyclohexane.

Physical properties about 2-Chloroethyl cyclohexyl sulphide are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 266; (6)ACD/BCF (pH 7.4): 266; (7)ACD/KOC (pH 5.5): 1893; (8)ACD/KOC (pH 7.4): 1893; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 49.867 cm³; (15)Molar Volume: 168.483 cm³; (16)Polarizability: 19.769×10^-24 cm³; (17)Surface Tension: 35.116 dyne/cm; (18)Density: 1.061 g/cm³; (19)Flash Point: 109.366 °C; (20)Enthalpy of Vaporization: 47.758 kJ/mol; (21)Boiling Point: 259.997 °C at 760 mmHg; (22)Vapour Pressure: 0.02 mmHg at 25 °C.

Uses of 2-Chloroethyl cyclohexyl sulphide: it is used to produce other chemicals. For example, it is used to produce 4-Amino-1-cyclohexylthioethyl-5-cyanoimidazole by heating. The reaction needs reagent K₂CO₃. Meanwhile, it needs solvents Tetrahydrofuran and Dimethylformamide. The yield is about 40 %.

2-Chloroethyl cyclohexyl sulphide can react with 5-Amino-1(3)H-imidazole-4-carbonitrile to get 4-Amino-1-cyclohexylthioethyl-5-cyanoimidazole.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCCSC1CCCCC1
(2) InChI: InChI=1/C8H15ClS/c9-6-7-10-8-4-2-1-3-5-8/h8H,1-7H2
(3) InChIKey: VAAOBUYKGQIDFC-UHFFFAOYAB

Product Name

2-Chloroethyl cyclohexyl sulphide

2-Chloroethyl cyclohexyl sulphide Specification

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