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CAS No.: | 19689-66-8 |
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Name: | 3,4-DIMETHOXYTHIOPHENOL, 99+% |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H10O2S |
Molecular Weight: | 170.232 |
Synonyms: | 3,5-Dimethoxybenzenethiol;3,5-Dimethoxythiophenol; |
Density: | 1.134 g/cm3 |
Boiling Point: | 262.9 °C at 760 mmHg |
Flash Point: | 112.8 °C |
PSA: | 57.26000 |
LogP: | 1.99250 |
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The Benzenethiol,3,5-dimethoxy-, with the CAS registry number 19689-66-8, is also known as 3,5-Dimethoxythiophenol. This chemical's molecular formula is C8H10O2S and molecular weight is 170.2288. What's more, its systematic name is called 3,5-Dimethoxybenzenethiol.
Physical properties about Benzenethiol,3,5-dimethoxy- are: (1) ACD/LogP: 2.43; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.34; (4) ACD/LogD (pH 7.4): 1.15; (5) ACD/BCF (pH 5.5): 33.72; (6) ACD/BCF (pH 7.4): 2.18; (7) ACD/KOC (pH 5.5): 407.14; (8) ACD/KOC (pH 7.4): 26.35; (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) Surface Tension: 36.6 dyne/cm; (17) Density: 1.134 g/cm3; (18) Flash Point: 125.2 °C; (19) Enthalpy of Vaporization: 50.14 kJ/mol; (20) Boiling Point: 283.4 °C at 760 mmHg; (21) Vapour Pressure: 0.00542 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cc(OC)cc(S)c1)C
(2) InChI: InChI=1/C8H10O2S/c1-9-6-3-7(10-2)5-8(11)4-6/h3-5,11H,1-2H3
(3) InChIKey: XGZPXJQXMHEIIJ-UHFFFAOYAB