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CAS No.: | 4829-04-3 |
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Name: | 1,3-Dithiolane |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C3H6S2 |
Molecular Weight: | 106.213 |
Synonyms: | 1, 3-Dithiacyclopentane;Dithiolane; |
Density: | 1.211 g/cm3 |
Melting Point: | 68 °C |
Boiling Point: | 175 °C at 760 mmHg |
Flash Point: | 63.6 °C |
Safety: | 23-24/25 |
Transport Information: | UN 3334 |
PSA: | 50.60000 |
LogP: | 1.42390 |
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 %.
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.
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