CAS No.18906-37-1,2,4-dimethoxybenzene-1-thiol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18906-37-1
Name:	2,4-dimethoxybenzene-1-thiol
Article Data:	6

Formula:	C₈H₁₀O₂S
Molecular Weight:	170.232
Synonyms:	2,4-Dimethoxybenzene-1-thiol;
Density:	1.134 g/cm³
Boiling Point:	278.1 °C at 760 mmHg
Flash Point:	122 °C
PSA:	57.26000
LogP:	1.99250

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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