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CAS No.: | 107-47-1 |
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Name: | TERT-BUTYL SULFIDE |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C8H18S |
Molecular Weight: | 146.297 |
Synonyms: | tert-Butylsulfide (6CI,7CI,8CI);2,2,4,4-Tetramethyl-3-thiapentane;Bis(1,1-dimethylethyl) sulfide;Di-tert-butyl sulfide;NSC 4549; |
EINECS: | 203-493-2 |
Density: | 0.837 g/cm3 |
Melting Point: | -11℃ |
Boiling Point: | 149 °C at 760 mmHg |
Flash Point: | 26.7 °C |
Appearance: | CLEAR COLOURLESS LIQUID |
Hazard Symbols: | R10:Flammable.; |
Risk Codes: | 10 |
Safety: | 16 |
PSA: | 25.30000 |
LogP: | 3.31660 |
The CAS registry number of Propane,2,2'-thiobis[2-methyl- is 107-47-1. It belongs to the product category of Organics. This chemical is also named as Di-tert-butyl sulfide. Its EINECS registry number is 203-493-2. In addition, its molecular formula is C8H18S and molecular weight is 146.29. Its systematic name and IUPAC name are the same which is called 2-tert-butylsulfanyl-2-methylpropane. This chemical is flammable. You must keep it away from sources of ignition - No smoking.
Physical properties about Propane,2,2'-thiobis[2-methyl- are: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 204.78; (6)ACD/BCF (pH 7.4): 204.78; (7)ACD/KOC (pH 5.5): 1570.46; (8)ACD/KOC (pH 7.4): 1570.46; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 47.04 cm3; (14)Molar Volume: 174.6 cm3; (15)Surface Tension: 25.1 dyne/cm; (16)Density: 0.837 g/cm3; (17)Flash Point: 26.7 °C; (18)Enthalpy of Vaporization: 33.26 kJ/mol; (19)Boiling Point: 149 °C at 760 mmHg; (20)Vapour Pressure: 5.22 mmHg at 25°C.
Preparation: this chemical can be prepared by di-tert-butyl sulfoxide. This reaction will need reagent silica chloride and solvent CH2Cl2. The reaction time is 10 mins at ambient temperature. The yield is about 67 %.
Uses of Propane,2,2'-thiobis[2-methyl-: it can be used to produce di-tert-butyl sulfone at ambient temperature. It will need reagents urea, H2O2, TFAA and solvent acetonitrile with reaction time of 2 hours. The yield is about 96 %.
You can still convert the following datas into molecular structure:
(1)SMILES: S(C(C)(C)C)C(C)(C)C
(2)InChI: InChI=1/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3
(3)InChIKey: LNMBCRKRCIMQLW-UHFFFAOYAT