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1,3-Dithiolane

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Name

1,3-Dithiolane

EINECS
CAS No. 4829-04-3 Density 1.211 g/cm3
Solubility Melting Point 68 °C
Formula C3H6S2 Boiling Point 175 °C at 760 mmHg
Molecular Weight 106.21 Flash Point 63.6 °C
Transport Information UN 3334 Appearance
Safety 23-24/25 Risk Codes
Molecular Structure Molecular Structure of 4829-04-3 (1,3-Dithiolane) Hazard Symbols
Synonyms

1, 3-Dithiacyclopentane;Dithiolane;

 

1,3-Dithiolane Specification

The 1,3-Dithiolane, with the CAS registry number of 4829-04-3, is also known as 1, 3-Dithiacyclopentane. It belongs to the product categories of Miscellaneous. This chemical's molecular formula is C3H6S2 and molecular weight is 106.21. What's more, its IUPAC name is 1, 3-Dithiolane. During using it, avoid contact with skin and eyes and do not breathe gas/fumes/vapour/spray.

Physical properties about 1,3-Dithiolane are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.04; (6)ACD/BCF (pH 7.4): 2.04; (7)ACD/KOC (pH 5.5): 57.99; (8)ACD/KOC (pH 7.4): 57.99; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 50.6 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 30.15 cm3; (15)Molar Volume: 87.6 cm3; (16)Polarizability: 11.95×10-24 cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.211 g/cm3; (19)Flash Point: 63.6 °C; (20)Enthalpy of Vaporization: 39.44 kJ/mol; (21)Boiling Point: 175 °C at 760 mmHg; (22)Vapour Pressure: 1.57 mmHg at 25 °C.

Preparation of 1,3-Dithiolane: this chemical is prepared by [1, 3]Dithiolane-2-thione. This reaction needs reagent Dibal and solvent Toluene. The reaction temperature is 110 °C. The yield is about 59 %.

The 1, 3-Dithiolane can be obtained by [1, 3]Dithiolane-2-thione.

Uses of 1,3-Dithiolane: it is used to produce other chemicals. For example, it is used to produce 1, 3-Dithiolane 1, 1-dioxide. The reaction needs reagent Peroxyhexanoyl nitrate and solvent Pentane. The reaction time is 30 minutes with reaction temperature of 0 °C.

1, 3-Dithiolane can be used to produce 1, 3-Dithiolane 1, 1-dioxide.

You can still convert the following datas into molecular structure:
(1) SMILES: S1CCSC1
(2) InChI: InChI=1/C3H6S2/c1-2-5-3-4-1/h1-3H2
(3) InChIKey: IMLSAISZLJGWPP-UHFFFAOYAL

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