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Name |
2,5-Diethoxy thiophenol |
EINECS | N/A |
CAS No. | 29236-93-9 | Density | 1.083 g/cm3 |
PSA | 57.26000 | LogP | 2.77270 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H14O2S | Boiling Point | 308.6 °C at 760 mmHg |
Molecular Weight | 198.28 | Flash Point | 140.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2,5-Diethoxybenzenethiol; |
The 2,5-Diethoxy thiophenol is an organic compound with the formula C10H14O2S. The IUPAC name of this chemical is 2,5-diethoxybenzenethiol. With the CAS registry number 29236-93-9, it is also named as benzenethiol, 2,5-diethoxy-. The product's categories are Phenol & Thiophenol & Mercaptan; Phenoles and thiophenoles.
Physical properties about 2,5-Diethoxy thiophenol are: (1)ACD/LogP: 3.36; (2)ACD/LogD (pH 5.5): 3.32; (3)ACD/LogD (pH 7.4): 2.36; (4)ACD/BCF (pH 5.5): 190.05; (5)ACD/BCF (pH 7.4): 21; (6)ACD/KOC (pH 5.5): 1443.32; (7)ACD/KOC (pH 7.4): 159.5; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 43.76 Å2; (11)Index of Refraction: 1.535; (12)Molar Refractivity: 57.05 cm3; (13)Molar Volume: 183 cm3; (14)Polarizability: 22.61×10-24cm3; (15)Surface Tension: 36 dyne/cm; (16)Density: 1.083 g/cm3; (17)Flash Point: 140.4 °C; (18)Enthalpy of Vaporization: 52.73 kJ/mol; (19)Boiling Point: 308.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00123 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(OCC)cc1S)CC
(2)InChI: InChI=1/C10H14O2S/c1-3-11-8-5-6-9(12-4-2)10(13)7-8/h5-7,13H,3-4H2,1-2H3
(3)InChIKey: JUAWFBZRMQIAID-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H14O2S/c1-3-11-8-5-6-9(12-4-2)10(13)7-8/h5-7,13H,3-4H2,1-2H3
(5)Std. InChIKey: JUAWFBZRMQIAID-UHFFFAOYSA-N