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Thiirane,2,3-diphenyl-, (2R,3R)-rel-

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Name

Thiirane,2,3-diphenyl-, (2R,3R)-rel-

EINECS N/A
CAS No. 57694-36-7 Density 1.172g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C14H12S Boiling Point 335.4 °C at 760 mmHg
Molecular Weight 212.315 Flash Point 152.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 57694-36-7 (2,3-diphenylthiirane) Hazard Symbols N/A
Synonyms

Thiirane,2,3-diphenyl-, trans-;NSC 72319;trans-2,3-Diphenylthiirane;trans-Stilbeneepisulfide;trans-Stilbene sulfide;

Article Data 17

Thiirane,2,3-diphenyl-, (2R,3R)-rel- Specification

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

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