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CAS No.: | 57694-36-7 |
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Name: | 2,3-diphenylthiirane |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C14H12S |
Molecular Weight: | 212.315 |
Synonyms: | Thiirane,2,3-diphenyl-, trans-;NSC 72319;trans-2,3-Diphenylthiirane;trans-Stilbeneepisulfide;trans-Stilbene sulfide; |
Density: | 1.172g/cm3 |
Boiling Point: | 335.4 °C at 760 mmHg |
Flash Point: | 152.6 °C |
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The Thiirane,2,3-diphenyl-, (2R,3R)-rel-, with CAS registry number 57694-36-7, has the systematic name of 2,3-diphenylthiirane. Besides this, it is also called Thiirane,2,3-diphenyl-, trans-. Its molecular weight is 212.3101. And the chemical formula of this chemical is C14H12S.
Physical properties of Thiirane,2,3-diphenyl-, (2R,3R)-rel-: (1)ACD/LogP: 4.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 25.3 Å2; (7)Index of Refraction: 1.652; (8)Molar Refractivity: 66.27 cm3; (9)Molar Volume: 181 cm3; (10)Polarizability: 26.27×10-24cm3; (11)Surface Tension: 50.3 dyne/cm; (12)Density: 1.172 g/cm3; (13)Flash Point: 152.6 °C; (14)Enthalpy of Vaporization: 55.55 kJ/mol; (15)Boiling Point: 335.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000234 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S2C(c1ccccc1)C2c3ccccc3
(2)InChI: InChI=1/C14H12S/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H
(3)InChIKey: YZGUWUYYNVDKDB-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H12S/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H
(5)Std. InChIKey: YZGUWUYYNVDKDB-UHFFFAOYSA-N