Benzo[b]thiophene,2-iodo-3-methoxy- supplier

Name
2-IODO-3-METHOXYBENZO[B]THIOPHENE
EINECS
CAS No. 66831-78-5
Density 1.823 g/cm³
Solubility
Melting Point
Formula C₉H₇IOS
Boiling Point 349.9 °C at 760 mmHg
Molecular Weight 290.1207
Flash Point 165.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Iod-6-methoxy-1-benzothiophen;
PSA 37.47000
LogP 3.51450

Benzo[b]thiophene,2-iodo-3-methoxy- Specification

The Benzo[b]thiophene,2-iodo-3-methoxy-, with the CAS registry number 66831-78-5, is also known as 2-Iod-6-methoxy-1-benzothiophen. This chemical's molecular formula is C₉H₇IOS and molecular weight is 290.1207. What's more, its systematic name is called 2-Iodo-1-benzothiophen-6-yl methyl ether.

Physical properties about Benzo[b]thiophene,2-iodo-3-methoxy- are: (1)ACD/LogP: 5.33; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.33; (4)ACD/LogD (pH 7.4): 5.33; (5)ACD/BCF (pH 5.5): 6585.43; (6)ACD/BCF (pH 7.4): 6585.43; (7)ACD/KOC (pH 5.5): 18833.62; (8)ACD/KOC (pH 7.4): 18833.62; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.47 Å²; (13)Index of Refraction: 1.708; (14)Molar Refractivity: 62.06 cm³; (15)Molar Volume: 159.1 cm³; (16)Polarizability: 24.6×10^-24 cm³; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.823 g/cm³; (19)Flash Point: 165.4 °C; (20)Enthalpy of Vaporization: 57.1 kJ/mol; (21)Boiling Point: 349.9 °C at 760 mmHg; (22)Vapour Pressure: 9.21E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc2cc(I)sc2c1
(2) InChI: InChI=1/C9H7IOS/c1-11-7-3-2-6-4-9(10)12-8(6)5-7/h2-5H,1H3
(3) InChIKey: DOSIHRTURIDCQK-UHFFFAOYAV

Product Name

2-IODO-3-METHOXYBENZO[B]THIOPHENE

Benzo[b]thiophene,2-iodo-3-methoxy- Specification

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