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CAS No.: | 19498-72-7 |
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Name: | 3-(2-Thienyl)-1-propanol |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C7H10OS |
Molecular Weight: | 142.222 |
Synonyms: | 3-(Thiophen-2-yl)propan-1-ol;3-(2-Thienyl)-1-propanol;3-(2-Thienyl)propan-1-ol; |
Density: | 1.131 g/cm3 |
Boiling Point: | 240.401 °C at 760 mmHg |
Flash Point: | 99.191 °C |
PSA: | 48.47000 |
LogP: | 1.67300 |
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The 2-Thiophenepropanol, with the CAS registry number 19498-72-7, is also known as 3-(2-Thienyl)-1-propanol. It belongs to the product categories of Alcohols and Derivatives; Heterocycles. This chemical's molecular formula is C7H10OS and molecular weight is 142.22. What's more, its systematic name is 3-(thiophen-2-yl)propan-1-ol.
Physical properties of 2-Thiophenepropanol are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/BCF (pH 5.5): 9; (5)ACD/KOC (pH 5.5): 168; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 48.47 Å2; (10)Index of Refraction: 1.555; (11)Molar Refractivity: 40.354 cm3; (12)Molar Volume: 125.743 cm3; (13)Polarizability: 15.998×10-24cm3; (14)Surface Tension: 43.833 dyne/cm; (15)Density: 1.131 g/cm3; (16)Flash Point: 99.191 °C; (17)Enthalpy of Vaporization: 50.441 kJ/mol; (18)Boiling Point: 240.401 °C at 760 mmHg; (19)Vapour Pressure: 0.021 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCCc1cccs1
(2)InChI: InChI=1S/C7H10OS/c8-5-1-3-7-4-2-6-9-7/h2,4,6,8H,1,3,5H2
(3)InChIKey: BQFZLZCBCSKUPL-UHFFFAOYSA-N