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CAS No.: | 27948-39-6 |
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Name: | (1S)-1-(2-THIENYL)ETHANOL |
Article Data: | 154 |
Molecular Structure: | |
Formula: | C6H8OS |
Molecular Weight: | 128.195 |
Synonyms: | 2-Thiophenemethanol, α-methyl-, (S)-(-)- (8CI);(S)-1-(2-Thienyl)ethanol;(alphaS)-α-Methyl-2-thiophenemethanol;2-Thiophenemethanol,α-methyl-, (S)-; |
Density: | 1.165 g/cm3 |
Boiling Point: | 212.8 °C at 760 mmHg |
Flash Point: | 82.5 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 48.47000 |
LogP: | 1.80140 |
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The 2-Thiophenemethanol, α-methyl-, (alphaS)-, with the CAS registry number 27948-39-6, is also known as (S)-1-(2-Thienyl)ethanol. It belongs to the product categories of Alcohols, Hydroxy Esters and Derivatives; Chiral Compounds. This chemical's molecular formula is C6H8OS and formula weight is 128.19. What's more, its systematic name is (1S)-1-thiophen-2-ylethanol. Its storage temperature is 2-8°C.
Physical properties of 2-Thiophenemethanol, α-methyl-, (alphaS)- are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/BCF (pH 5.5): 3.76; (5)ACD/KOC (pH 5.5): 89.87; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 37.47 Å2; (10)Index of Refraction: 1.563; (11)Molar Refractivity: 35.72 cm3; (12)Molar Volume: 109.9 cm3; (13)Surface Tension: 43.4 dyne/cm; (14)Density: 1.165 g/cm3; (15)Flash Point: 82.5 °C; (16)Enthalpy of Vaporization: 47.47 kJ/mol; (17)Boiling Point: 212.8 °C at 760 mmHg; (18)Vapour Pressure: 0.101 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. It is irritating to respiratory system and skin. It has the risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H](c1sccc1)C
(2)InChI: InChI=1S/C6H8OS/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3/t5-/m0/s1
(3)InChIKey: WUNFIVTVJXZDDJ-YFKPBYRVSA-N