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| CAS No.: | 17236-58-7 |
|---|---|
| Name: | 2-Hydroxythiophene |
| Molecular Structure: | |
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| Formula: | C4H4OS |
| Molecular Weight: | 100.14 |
| Synonyms: | 2-Thienol(6CI);2-Hydroxythiophene;2-Thienyl alcohol;2-Thiophenol;Thiophene,2-hydroxy-; |
| Density: | 1.294 g/cm3 |
| Melting Point: | 9°C |
| Boiling Point: | 219.2 °C at 760 mmHg |
| Flash Point: | 86.4 °C |
| PSA: | 48.47000 |
| LogP: | 1.45370 |
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Specification
The Thiophene-2-ol, with the CAS registry number 17236-58-7, is also known as 2-Hydroxythiophene. This chemical's molecular formula is C4H4OS and molecular weight is 100.14. What's more, its systematic name is called 2-Thiopheneol.
Physical properties about Thiophene-2-ol are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.48; (6)ACD/BCF (pH 7.4): 4.10; (7)ACD/KOC (pH 5.5): 101.75; (8)ACD/KOC (pH 7.4): 93.23; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.47 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 26.51 cm3; (15)Molar Volume: 77.3 cm3; (16)Polarizability: 10.51×10-24cm3; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.294 g/cm3; (19)Flash Point: 86.4 °C; (20)Enthalpy of Vaporization: 47.41 kJ/mol; (21)Boiling Point: 219.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0819 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1sccc1
(2) InChI: InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1-3,5H
(3) InChIKey: WZMPOCLULGAHJR-UHFFFAOYSA-N