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2,4-Dimethoxythiophenol

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Name

2,4-Dimethoxythiophenol

EINECS N/A
CAS No. 18906-37-1 Density 1.134 g/cm3
PSA 57.26000 LogP 1.99250
Solubility N/A Melting Point N/A
Formula C8H10O2S Boiling Point 278.1 °C at 760 mmHg
Molecular Weight 170.232 Flash Point 122 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 18906-37-1 (2,4-dimethoxybenzene-1-thiol) Hazard Symbols N/A
Synonyms

2,4-Dimethoxybenzene-1-thiol;

Article Data 6

2,4-Dimethoxythiophenol Specification

This chemical is called 2,4-Dimethoxythiophenol, and its systematic name is Benzenethiol, 2,4-dimethoxy-. With the molecular formula of C8H10O2S, its molecular weight is 170.23. The CAS registry number of this chemical is 18906-37-1.

Other characteristics of the 2,4-Dimethoxythiophenol can be summarised as followings: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 20.44; (6)ACD/BCF (pH 7.4): 3.99; (7)ACD/KOC (pH 5.5): 297.17; (8)ACD/KOC (pH 7.4): 57.95; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.76 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 47.78 cm3; (15)Molar Volume: 150 cm3; (16)Polarizability: 18.94×10-24cm3; (17)Surface Tension: 36.6 dyne/cm; (18)Density: 1.134 g/cm3; (19)Flash Point: 122 °C; (20)Enthalpy of Vaporization: 49.6 kJ/mol; (21)Boiling Point: 278.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00734 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O(c1cc(OC)ccc1S)C
2.InChI: InChI=1/C8H10O2S/c1-9-6-3-4-8(11)7(5-6)10-2/h3-5,11H,1-2H3
3.InChIKey: FZHTUELUUNCLRZ-UHFFFAOYAE

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