-
Name
ACETIC ACID, [(DIPHENYLMETHYL)SULFINYL]-, ETHYL ESTER
- EINECS
- CAS No. 118286-19-4
- Article Data3
- CAS DataBase
- Density 1.216 g/cm3
- Solubility
- Melting Point
- Formula C17H18O3S
- Boiling Point 492.7 °C at 760 mmHg
- Molecular Weight 302.394
- Flash Point 251.8 °C
- Transport Information
- Appearance White Solid
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Aceticacid, [(diphenylmethyl)sulfinyl]-, ethyl ester (9CI);
- PSA 62.58000
- LogP 3.95350
[(Diphenylmethyl)sulfinyl]acetic acid ethyl ester Specification
The Acetic acid,2-[(diphenylmethyl)sulfinyl]-, ethyl ester, with its CAS registry number 118286-19-4, has the systematic name of ethyl 2-benzhydrylsulfinylacetate. With its molecular foumula of C17H18O3S, it has the formula weight of 302.39. For being a kind of white solid, it belongs to the product categories which include Aromatics Compounds; Aromatics; Sulfur & Selenium Compounds.
The characteristics of Acetic acid,2-[(diphenylmethyl)sulfinyl]-, ethyl ester are as follows: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 62.58 Å2; (9)Index of Refraction: 1.597; (10)Molar Refractivity: 84.73 cm3; (11)Molar Volume: 248.5 cm3; (12)Polarizability: 33.59×10-24cm3; (13)Surface Tension: 53.3 dyne/cm; (14)Density: 1.216 g/cm3; (15)Flash Point: 251.8 °C; (16)Enthalpy of Vaporization: 75.97 kJ/mol; (17)Boiling Point: 492.7 °C at 760 mmHg; (18)Vapour Pressure: 7.49E-10 mmHg at 25°C.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:CCOC(=O)CS(=O)C(c1ccccc1)c2ccccc2
(2)InChI:InChI=1/C17H18O3S/c1-2-20-16(18)13-21(19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3
(3)InChIKey:XQVZQTKFGQJNTO-UHFFFAOYAV
(4)Std. InChI:InChI=1S/C17H18O3S/c1-2-20-16(18)13-21(19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3
(5)Std. InChIKey:XQVZQTKFGQJNTO-UHFFFAOYSA-N
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