The Benzo[b]thiophene-5-methanol, with the CAS registry number 20532-34-7, is also known as 1-Benzothien-5-ylmethanol. This chemical's molecular formula is C9H8OS and molecular weight is 164.2242. What's more, its systematic name is called 1-Benzothiophen-5-ylmethanol.
Physical properties about Benzo[b]thiophene-5-methanol are: (1)ACD/LogP: 3.20; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 158.19; (6)ACD/BCF (pH 7.4): 158.19; (7)ACD/KOC (pH 5.5): 1305.53; (8)ACD/KOC (pH 7.4): 1305.53; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.47 Å2; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 48.93 cm3; (15)Molar Volume: 126.8 cm3; (16)Polarizability: 19.39×10-24 cm3; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.294 g/cm3; (19)Flash Point: 149.8 °C; (20)Enthalpy of Vaporization: 59.75 kJ/mol; (21)Boiling Point: 324 °C at 760 mmHg; (22)Vapour Pressure: 0.000103 mmHg at 25 °C; (23)Melting Point: 91 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and skin. Therefore, you should avoid contact with skin and eyes. Also, you should not breathe dust.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc2cc1c(scc1)cc2
(2) InChI: InChI=1/C9H8OS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,10H,6H2
(3) InChIKey: JSYSQUAJOCDMJW-UHFFFAOYAH
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