Acetic acid,2-[(4-ethoxyphenyl)thio]- supplier

Name
(4-ETHOXYPHENYL)THIO]ACETIC ACID
EINECS
CAS No. 51094-45-2
Article Data7
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂O₃S
Boiling Point 369.2 °C at 760 mmHg
Molecular Weight 212.269
Flash Point 177.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, (p-ethoxyphenylthio)- (6CI);Acetic acid, [(4-ethoxyphenyl)thio]- (9CI);[(4-ethoxyphenyl)sulfanyl]acetic acid;
PSA 71.83000
LogP 2.26200

Acetic acid,2-[(4-ethoxyphenyl)thio]- Specification

The Acetic acid,2-[(4-ethoxyphenyl)thio]-, with the CAS registry number 51094-45-2, has the systematic name of [(4-ethoxyphenyl)sulfanyl]acetic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₂O₃S.

The characteristics of Acetic acid,2-[(4-ethoxyphenyl)thio]- are as followings: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1.24; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.54; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 60.83 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 56.67 cm³; (15)Molar Volume: 170.4 cm³; (16)Polarizability: 22.46×10^-24cm³; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 177.1 °C; (20)Enthalpy of Vaporization: 64.98 kJ/mol; (21)Boiling Point: 369.2 °C at 760 mmHg; (22)Vapour Pressure: 4.22E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CSc1ccc(OCC)cc1
(2)InChI: InChI=1/C10H12O3S/c1-2-13-8-3-5-9(6-4-8)14-7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
(3)InChIKey: UEWLGUBBIVUMRG-UHFFFAOYAE

Product Name

(4-ETHOXYPHENYL)THIO]ACETIC ACID

Acetic acid,2-[(4-ethoxyphenyl)thio]- Specification

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