Benzo[b]thiophene-2-methanol,5-methyl- supplier

Name
5-METHYLBENZO[B]THIOPHENE-2-METHANOL
EINECS
CAS No. 22962-49-8
Density 1.245 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀OS
Boiling Point 338.5 °C at 760 mmHg
Molecular Weight 178.2508
Flash Point 158.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (5-Methyl-benzo[b]thiophen-2-yl)-methanol;
PSA 48.47000
LogP 2.70200

Benzo[b]thiophene-2-methanol,5-methyl- Specification

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

Product Name

5-METHYLBENZO[B]THIOPHENE-2-METHANOL

Benzo[b]thiophene-2-methanol,5-methyl- Specification

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