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CAS No.: | 51830-53-6 |
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Name: | 1-benzothien-7-ylmethanol |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H8OS |
Molecular Weight: | 164.228 |
Synonyms: | 1-benzothien-7-ylmethanol;7-(Hydroxymethyl)benzo[b]thiophene;7-(Hydroxymethyl)benzo[b]thiophene 97%; |
Density: | 1.295 g/cm3 |
Melting Point: | 76.5 °C |
Boiling Point: | 324.016 °C at 760 mmHg |
Flash Point: | 149.76 °C |
PSA: | 48.47000 |
LogP: | 2.39360 |
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The CAS register number of Benzo[b]thiophene-7-methanol is 51830-53-6. It also can be called as 7-(Hydroxymethyl)benzo[b]thiophene and the systematic name about this chemical is 1-benzothiophen-7-ylmethanol. The molecular formula about this chemical is C9H8OS and the molecular weight is 164.22422.
Physical properties about Benzo[b]thiophene-7-methanol are: (1)ACD/LogP: 2.31; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 158; (5)ACD/BCF (pH 7.4): 158; (6)ACD/KOC (pH 5.5): 1306; (7)ACD/KOC (pH 7.4): 1306; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 48.47 Å2; (12)Index of Refraction: 1.698; (13)Molar Refractivity: 48.931 cm3; (14)Molar Volume: 126.845 cm3; (15)Polarizability: 19.398x10-24cm3; (16)Surface Tension: 56.528 dyne/cm; (17)Density: 1.295 g/cm3; (18)Flash Point: 149.76 °C; (19)Enthalpy of Vaporization: 59.751 kJ/mol; (20)Boiling Point: 324.016 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1cccc2ccsc12
(2)InChI: InChI=1/C9H8OS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,10H,6H2
(3)InChIKey: AQJJFNFAYMLSNA-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H8OS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,10H,6H2
(5)Std. InChIKey: AQJJFNFAYMLSNA-UHFFFAOYSA-N