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| CAS No.: | 20532-30-3 |
|---|---|
| Name: | 5-Methoxy-1-benzothiophene |
| Article Data: | 25 |
| Molecular Structure: | |
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| Formula: | C9H8OS |
| Molecular Weight: | 164.22192 |
| Synonyms: | 5-Methoxybenzo[B]thiophene; |
| Density: | 1.198 g/cm3 |
| Melting Point: | 42 °C |
| Boiling Point: | 268.874 °C at 760 mmHg |
| Flash Point: | 116.411 °C |
| PSA: | 37.47000 |
| LogP: | 2.90990 |
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Specification
The CAS register number of 5-Methoxy-1-benzothiophene is 20532-30-3. The systematic name about this chemical is 5-methoxybenzothiophene. The molecular formula about this chemical is C9H8OS and the molecular weight is 164.22192.
Physical properties about 5-Methoxy-1-benzothiophene are: (1)ACD/LogP: 3.20; (2)ACD/LogD (pH 5.5): 3.195; (3)ACD/LogD (pH 7.4): 3.195; (4)ACD/BCF (pH 5.5): 157.899; (5)ACD/BCF (pH 7.4): 157.899; (6)ACD/KOC (pH 5.5): 1303.792; (7)ACD/KOC (pH 7.4): 1303.792; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 37.47 Å2; (11)Index of Refraction: 1.637; (12)Molar Refractivity: 49.158 cm3; (13)Molar Volume: 137.031 cm3; (14)Polarizability: 19.488x10-24cm3; (15)Surface Tension: 43.017 dyne/cm; (16)Density: 1.198 g/cm3; (17)Flash Point: 116.411 °C; (18)Enthalpy of Vaporization: 48.655 kJ/mol; (19)Boiling Point: 268.874 °C at 760 mmHg; (20)Vapour Pressure: 0.012 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2c(c1)ccs2
(2)InChI: InChI=1/C9H8OS/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-6H,1H3
(3)InChIKey: YUCSRVKBVKJMNH-UHFFFAOYAM