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| CAS No.: | 14193-38-5 |
|---|---|
| Name: | TRANS-4,5-DIHYDROXY-1,2-DITHIANE |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C4H8O2S2 |
| Molecular Weight: | 152.238 |
| Synonyms: | 1,2-Dithiane-4,5-diol,trans-;o-Dithiane-4,5-diol, trans- (7CI,8CI);(?à)-trans-1,2-Dithiane-4,5-diol;NSC 663605;trans-1,2-Dithiane-4,5-diol;trans-4,5-Dihydroxy-1,2-dithiane;trans-4,5-Dihydroxy-o-dithiane; |
| EINECS: | 238-047-6 |
| Density: | 1.531 g/cm3 |
| Melting Point: | 130-132 °C(lit.) |
| Boiling Point: | 284.9 °C at 760 mmHg |
| Flash Point: | 139 °C |
| Safety: | 22-24/25 |
| PSA: | 91.06000 |
| LogP: | 0.10320 |
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Specification
This chemical is called trans-1,2-Dithiane-4,5-diol. With the molecular formula of C4H8O2S2, its molecular weight is 152.24. The CAS registry number of this chemical is 14193-38-5. Additionally, its product category is Heterocyclic Compounds.
Other characteristics of the trans-1,2-Dithiane-4,5-diol can be summarised as followings: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 69.06 Å2; (7)Index of Refraction: 1.689; (8)Molar Refractivity: 37.95 cm3; (9)Molar Volume: 99.3 cm3; (10)Polarizability: 15.04×10-24cm3; (11)Surface Tension: 67.3 dyne/cm; (12)Density: 1.531 g/cm3; (13)Flash Point: 139 °C; (14)Enthalpy of Vaporization: 60.8 kJ/mol; (15)Boiling Point: 284.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000333 mmHg at 25°C.
Production method of this chemical: The trans-1,2-Dithiane-4,5-diol could be obtained by the reactants of bis-(1-methyl-1H-tetrazol-5-yl)-disulfide and racem. 1,4-dimercapto-butane-2,3-diol. This reaction needs the solvent of CDCl3. The yield is 100 %.
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Uses of this chemical: The trans-1,2-Dithiane-4,5-diol could react with toluene-4-sulfonyl chloride, and obtain the trans-1,2-dithiane-4,5-diol ditosylate. This reaction needs the solvent of pyridine. The yield is 42 %.
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When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
1.SMILES: O[C@H]1CSSC[C@@H]1O
2.InChI: InChI=1/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1
3.InChIKey: YPGMOWHXEQDBBV-IMJSIDKUBD