3,5-Dichlorophenylthioethanol supplier

Name
3,5-DICHLOROPHENYL THIOETHANOL
EINECS
CAS No. 101079-86-1
Article Data2
CAS DataBase
Density 1.478 g/cm³
Solubility
Melting Point
Formula C₈H₈Cl₂OS
Boiling Point 327.7 °C at 760 mmHg
Molecular Weight 223.123
Flash Point 152 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3,5-Dichlorophenyl thioethanol;
PSA 45.53000
LogP 3.07780

3,5-Dichlorophenylthioethanol Specification

The Ethanol,2-[(3,5-dichlorophenyl)thio]-, with the CAS registry number 101079-86-1, is also known as 3,5-Dichlorophenyl thioethanol. It belongs to the product category of Alkohols. This chemical's molecular formula is C₈H₈Cl₂OS and molecular weight is 223.12. Its systematic name is called 2-[(3,5-dichlorophenyl)sulfanyl]ethanol.

Physical properties of Ethanol,2-[(3,5-dichlorophenyl)thio]-: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.25; (6)ACD/BCF (pH 7.4): 129.25; (7)ACD/KOC (pH 5.5): 1129.7; (8)ACD/KOC (pH 7.4): 1129.7; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 55.21 cm³; (14)Molar Volume: 156.8 cm³; (15)Surface Tension: 55.1 dyne/cm; (16)Density: 1.42 g/cm³; (17)Flash Point: 152 °C; (18)Enthalpy of Vaporization: 60.18 kJ/mol; (19)Boiling Point: 327.7 °C at 760 mmHg; (20)Vapour Pressure: 8.02E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(SCCO)cc(Cl)c1
(2)InChI: InChI=1/C8H8Cl2OS/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5,11H,1-2H2
(3)InChIKey: UVVZHCXFLPWEMD-UHFFFAOYAQ

Product Name

3,5-DICHLOROPHENYL THIOETHANOL

3,5-Dichlorophenylthioethanol Specification

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