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Thietane

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Name

Thietane

EINECS 206-015-0
CAS No. 287-27-4 Density 1.052 g/cm3
PSA 25.30000 LogP 1.12330
Solubility N/A Melting Point -73.24°C
Formula C3H6S Boiling Point 94.9 °C at 760 mmHg
Molecular Weight 74.1466 Flash Point 27 °F
Transport Information UN 1993 Appearance clear colourless liquid
Safety 16 Risk Codes 11-22
Molecular Structure Molecular Structure of 287-27-4 (TRIMETHYLENE SULFIDE) Hazard Symbols FlammableF, HarmfulXn
Synonyms

1, 3-Epithiopropan;

Article Data 34

Thietane Specification

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 %.

Preparation of Thietane.

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 %.

 Uses of Thietane.

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

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