Butane,1,4-bis(methylthio)- supplier

Name
2,7-DITHIAOCTANE
EINECS
CAS No. 15394-33-9
Article Data13
CAS DataBase
Density 0.966 g/cm³
Solubility
Melting Point
Formula C₆H₁₄S₂
Boiling Point 209.9 °C at 760 mmHg
Molecular Weight 150.309
Flash Point 75.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4-Bis(methylthio)butane;2,7-Dithiaoctane;NSC 60711;
PSA 50.60000
LogP 2.49260

Butane,1,4-bis(methylthio)- Specification

The Butane, 1, 4-bis(methylthio)-, with the CAS registry number of 15394-33-9, is also known as 2,7-Dithiaoctane. This chemical's molecular formula is C₆H₁₄S₂ and molecular weight is 150.31. What's more, its IUPAC name is 1, 4-Bis(methylsulfanyl)butane.

Physical properties about Butane, 1, 4-bis(methylthio)- are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 50.6 Å²; (7)Index of Refraction: 1.501; (8)Molar Refractivity: 45.84 cm³; (9)Molar Volume: 155.5 cm³; (10)Surface Tension: 32.8 dyne/cm; (11)Density: 0.966 g/cm³; (12)Flash Point: 75.3 °C; (13)Enthalpy of Vaporization: 42.79 kJ/mol; (14)Boiling Point: 209.9 °C at 760 mmHg; (15)Vapour Pressure: 0.287 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 1, 4-Dibromo-butane with Methylisothiouronium sulfate by heating. The reaction needs reagent KOH and solvent Methanol. The reaction time is 2 hours. The yield is about 86 %.

Uses of Butane, 1, 4-bis(methylthio)-: it is used to produce other chemicals. For example, it is used to produce 1-Methanesulfinyl-4-methylsulfanyl-butane. This reaction needs reagents Trifluoromethanesulfonic anhydride and aq. NaHCO₃. Meanwhile, it needs solvent CH₂Cl₂. The reaction time is 2 hours with reaction temperature of -40--20 °C. The yield is about 85 %.

You can still convert the following datas into molecular structure:
(1) SMILES: S(C)CCCCSC
(2) InChI: InChI=1/C6H14S2/c1-7-5-3-4-6-8-2/h3-6H2,1-2H3
(3) InChIKey: JTFIKVWEZAEFMN-UHFFFAOYAM

Product Name

2,7-DITHIAOCTANE

Butane,1,4-bis(methylthio)- Specification

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