Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzenethiol,3,5-dimethoxy- |
EINECS | N/A |
CAS No. | 19689-66-8 | Density | 1.134 g/cm3 |
PSA | 57.26000 | LogP | 1.99250 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H10O2S | Boiling Point | 262.9 °C at 760 mmHg |
Molecular Weight | 170.232 | Flash Point | 112.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,5-Dimethoxybenzenethiol;3,5-Dimethoxythiophenol; |
Article Data | 9 |
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