Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzo[b]thiophen-3(2H)-one |
EINECS | N/A |
CAS No. | 130-03-0 | Density | 1.312 g/cm3 |
PSA | 42.37000 | LogP | 1.97500 |
Solubility | N/A | Melting Point |
230 °C |
Formula | C8H6OS | Boiling Point | 273.393 °C at 760 mmHg |
Molecular Weight | 150.201 | Flash Point | 143.683 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Benzothiophen-3(2H)-one; |
Article Data | 66 |
The Benzo[b]thiophen-3(2H)-one, with the CAS registry number 130-03-0, is also known as 1-Benzothiophen-3-ol. This chemical's molecular formula is C8H6OS and molecular weight is 150.2. What's more, its systematic name is 1-Benzothiophen-3(2H)-one.
Physical properties about Benzo[b]thiophen-3(2H)-one are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 232; (8)ACD/KOC (pH 7.4): 232; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 42.37 Å2; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 42.108 cm3; (15)Molar Volume: 114.5 cm3; (16)Polarizability: 16.693×10-24 cm3; (17)Surface Tension: 53.749 dyne/cm; (18)Density: 1.312 g/cm3; (19)Flash Point: 143.683 °C; (20)Enthalpy of Vaporization: 51.173 kJ/mol; (21)Boiling Point: 273.393 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2CSc1ccccc12
(2) InChI: InChI=1/C8H6OS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2
(3) InChIKey: ADHAJDDBRUOZHJ-UHFFFAOYAJ