Basic Information | Post buying leads | Suppliers |
Name |
Benzo[b]thiophene-2-methanol,5-methyl- |
EINECS | N/A |
CAS No. | 22962-49-8 | Density | 1.245 g/cm3 |
PSA | 48.47000 | LogP | 2.70200 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H10OS | Boiling Point | 338.5 °C at 760 mmHg |
Molecular Weight | 178.2508 | Flash Point | 158.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(5-Methyl-benzo[b]thiophen-2-yl)-methanol; |
The Benzo[b]thiophene-2-methanol,5-methyl-, with the CAS registry number 22962-49-8, is also known as (5-Methyl-benzo[b]thiophen-2-yl)-methanol. This chemical's molecular formula is C10H10OS and molecular weight is 178.2508. What's more, its systematic name is called (5-Methyl-1-benzothiophen-2-yl)methanol.
Physical properties about Benzo[b]thiophene-2-methanol,5-methyl- are: (1)ACD/LogP: 3.66; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.66; (4)ACD/LogD (pH 7.4): 3.66; (5)ACD/BCF (pH 5.5): 353.87; (6)ACD/BCF (pH 7.4): 353.87; (7)ACD/KOC (pH 5.5): 2323.1; (8)ACD/KOC (pH 7.4): 2323.1; (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: 1.674; (14)Molar Refractivity: 53.75 cm3; (15)Molar Volume: 143.1 cm3; (16)Polarizability: 21.31×10-24 cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 158.5 °C; (20)Enthalpy of Vaporization: 61.42 kJ/mol; (21)Boiling Point: 338.5 °C at 760 mmHg; (22)Vapour Pressure: 3.8E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc2sc1ccc(cc1c2)C
(2) InChI: InChI=1/C10H10OS/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h2-5,11H,6H2,1H3
(3) InChIKey: NPSSZIBANMLQHP-UHFFFAOYAB