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| CAS No.: | 16587-47-6 |
|---|---|
| Name: | 6-METHYLBENZOTHIOPHENE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C9H8S |
| Molecular Weight: | 148.229 |
| Synonyms: | 6-Methylbenzo[b]thiophene;6-Methylbenzothiophene;6-Methylthianaphthene; |
| EINECS: | 250-609-2 |
| Density: | 1.146 g/cm3 |
| Melting Point: | 42.0-42.5 °C |
| Boiling Point: | 243 °C at 760 mmHg |
| Flash Point: | 72.4 °C |
| PSA: | 28.24000 |
| LogP: | 3.20970 |
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Specification
The Benzo[b]thiophene,6-methyl- is an organic compound with the formula C9H8S. The IUPAC name of this chemical is 6-Methyl-1-benzothiophene. With the CAS registry number 16587-47-6, it is also named as Benzothiophene, 6-methyl-. Besides, its molecular weight is 148.2248.
Physical properties about Benzo[b]thiophene,6-methyl- are: (1)ACD/LogP: 4.84; (2)ACD/LogD (pH 5.5): 4.84; (3)ACD/LogD (pH 7.4): 4.84; (4)ACD/BCF (pH 5.5): 2808.4; (5)ACD/BCF (pH 7.4): 2808.4; (6)ACD/KOC (pH 5.5): 10232.97; (7)ACD/KOC (pH 7.4): 10232.97; (8)Polar Surface Area: 28.24 Å2; (9)Index of Refraction: 1.652; (10)Molar Refractivity: 47.3 cm3; (11)Molar Volume: 129.3 cm3; (12)Polarizability: 18.75×10-24 cm3; (13)Surface Tension: 43.4 dyne/cm; (14)Density: 1.146 g/cm3; (15)Flash Point: 72.4 °C; (16)Enthalpy of Vaporization: 46.05 kJ/mol; (17)Boiling Point: 243 °C at 760 mmHg; (18)Vapour Pressure: 0.0514 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H8S/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6H,1H3
(2)InChIKey: WOGMIMNVXACKEB-UHFFFAOYAZ
(3)Std. InChI: InChI=1S/C9H8S/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6H,1H3
(4)Std. InChIKey: WOGMIMNVXACKEB-UHFFFAOYSA-N