S-2-Hydroxyethyl benzenecarbothioate supplier

Name
ETHYL THIOSALICYLATE
EINECS
CAS No. 52772-11-9
Article Data7
CAS DataBase
Density 1.164g/cm³
Solubility
Melting Point
Formula C₉H₁₀O₂S
Boiling Point 277.612 °C at 760 mmHg
Molecular Weight 182.243
Flash Point 171.764 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(S-Benzoylthio)ethanol;S-2-Hydroxyethyl benzenecarbothioate;
PSA 62.60000
LogP 2.28550

S-2-Hydroxyethyl benzenecarbothioate Specification

The Benzenecarbothioicacid, S-(2-hydroxyethyl) ester, with CAS registry number 52772-11-9, belongs to the following product category: Phenol & Thiophenol & Mercaptan. It has the systematic name of ethyl 2-sulfanylbenzoate. And the chemical formula of this chemical is C₉H₁₀O₂S.

Physical properties of Benzenecarbothioicacid, S-(2-hydroxyethyl) ester: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 117; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 953; (8)ACD/KOC (pH 7.4): 40; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 65.1 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 50.834 cm³; (15)Molar Volume: 156.443 cm³; (16)Polarizability: 20.152×10^-24cm³; (17)Surface Tension: 42.912 dyne/cm; (18)Density: 1.165 g/cm³; (19)Flash Point: 171.764 °C; (20)Enthalpy of Vaporization: 51.619 kJ/mol; (21)Boiling Point: 277.612 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1ccccc1S
(2)InChI: InChI=1/C9H10O2S/c1-2-11-9(10)7-5-3-4-6-8(7)12/h3-6,12H,2H2,1H3
(3)InChIKey: CAIKKJIIZHDMSX-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H10O2S/c1-2-11-9(10)7-5-3-4-6-8(7)12/h3-6,12H,2H2,1H3
(5)Std. InChIKey: CAIKKJIIZHDMSX-UHFFFAOYSA-N

Product Name

ETHYL THIOSALICYLATE

S-2-Hydroxyethyl benzenecarbothioate Specification

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