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CAS No.: | 63547-23-9 |
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Name: | ACETIC ACID, [(DIPHENYLMETHYL)THIO]-, ETHYL ESTER |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C17H18O2S |
Molecular Weight: | 286.395 |
Synonyms: | Aceticacid, [(diphenylmethyl)thio]-, ethyl ester (9CI); |
Density: | 1.131 g/cm3 |
Boiling Point: | 384.3 °C at 760 mmHg |
Flash Point: | 176.9 °C |
Appearance: | slight-yellow oil |
PSA: | 51.60000 |
LogP: | 4.07230 |
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The Aceticacid, 2-[(diphenylmethyl)thio]-, ethyl ester, with the CAS registry number 63547-23-9, belongs to the product categories of Aromatics Compounds; Aromatics; Sulfur & Selenium Compounds. This chemical's molecular formula is C17H18O2S and molecular weight is 286.3886. Its systematic name is called ethyl [(diphenylmethyl)sulfanyl]acetate. This chemical is slight-yellow oil.
Physical properties of Aceticacid, 2-[(diphenylmethyl)thio]-, ethyl ester: (1)ACD/LogP: 4.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.93; (4)ACD/LogD (pH 7.4): 4.93; (5)ACD/BCF (pH 5.5): 3286.53; (6)ACD/BCF (pH 7.4): 3286.53; (7)ACD/KOC (pH 5.5): 11451.85; (8)ACD/KOC (pH 7.4): 11451.85; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 83.87 cm3; (13)Molar Volume: 253 cm3; (14)Surface Tension: 43.9 dyne/cm; (15)Density: 1.131 g/cm3; (16)Flash Point: 176.9 °C; (17)Enthalpy of Vaporization: 63.3 kJ/mol; (18)Boiling Point: 384.3 °C at 760 mmHg; (19)Vapour Pressure: 4.13E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CSC(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C17H18O2S/c1-2-19-16(18)13-20-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3
(3)InChIKey: USHWCUHXXAVVLF-UHFFFAOYAN