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CAS No.: | 287-27-4 |
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Name: | TRIMETHYLENE SULFIDE |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C3H6S |
Molecular Weight: | 74.1466 |
Synonyms: | 1, 3-Epithiopropan; |
EINECS: | 206-015-0 |
Density: | 1.052 g/cm3 |
Melting Point: | -73.24°C |
Boiling Point: | 94.9 °C at 760 mmHg |
Flash Point: | 27 °F |
Appearance: | clear colourless liquid |
Hazard Symbols: | F, Xn |
Risk Codes: | 11-22 |
Safety: | 16 |
Transport Information: | UN 1993 |
PSA: | 25.30000 |
LogP: | 1.12330 |
The Thietane, with the CAS registry number of 287-27-4, is also known as 1, 3-Epithiopropan. Thietane is a heterocyclic compound containing a saturated four-membered ring with three carbon atoms and one sulfur atom. It belongs to the product categories of Dithietanes; Simple 4-Membered Ring Compounds. Its EINECS registry number is 206-015-0. This chemical's molecular formula is C3H6S and molecular weight is 74.14. What's more, its systematic name is Thietane.
Physical properties about Thietane are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 2.27; (6)ACD/BCF (pH 7.4): 2.27; (7)ACD/KOC (pH 5.5): 62.65; (8)ACD/KOC (pH 7.4): 62.65; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 21.99 cm3; (15)Molar Volume: 70.4 cm3; (16)Surface Tension: 38.6 dyne/cm; (17)Density: 1.052 g/cm3; (18)Enthalpy of Vaporization: 32.32 kJ/mol; (19)Boiling Point: 94.9 °C at 760 mmHg; (20)Vapour Pressure: 53.1 mmHg at 25 °C.
Preparation of Thietane: this chemical is prepared by 1, 3-Dibromo-propane. The reaction needs reagent Sodium sulfide nonahydrate and solvent Dimethylsulfoxide. The reaction time is 20 minutes with reaction temperature of 150 °C. The yield is about 65 %.
Uses of Thietane: it is used to produce other chemicals. For example, it is used to produce Thietane-1-oxide. This reaction needs reagents P2O5/Silica gel and HNO3. Meanwhile, it needs solvent H2O. The reaction time is 8 minutes. The yield is about 92 %.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. In addition, this chemical is harmful if swallowed. Besides, this chemical is highly flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.
You can still convert the following datas into molecular structure:
(1) SMILES: S1CCC1
(2) InChI: InChI=1/C3H6S/c1-2-4-3-1/h1-3H2
(3) InChIKey: XSROQCDVUIHRSI-UHFFFAOYAR