Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
trans-1,2-Dithiane-4,5-diol |
EINECS | 238-047-6 |
CAS No. | 14193-38-5 | Density | 1.531 g/cm3 |
PSA | 91.06000 | LogP | 0.10320 |
Solubility | N/A | Melting Point |
130-132 °C(lit.) |
Formula | C4H8O2S2 | Boiling Point | 284.9 °C at 760 mmHg |
Molecular Weight | 152.238 | Flash Point | 139 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 22 |
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 %.
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 %.
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