Benzo[b]thiophen-4-amine, 4,5,6,7-tetrahydro- supplier

Name
4,5,6,7-Tetrahydro-1-benzothiophen-4-amine
EINECS
CAS No. 58094-17-0
Article Data9
CAS DataBase
Density 1.149 g/cm³
Solubility
Melting Point
Formula C₈H₁₁NS
Boiling Point 258 °C at 760 mmHg
Molecular Weight 153.248
Flash Point 109.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,5,6,7-Tetrahydro-benzo[b]thiophen-4-ylamine;
PSA 54.26000
LogP 2.78450

Benzo[b]thiophen-4-amine, 4,5,6,7-tetrahydro- Specification

The Benzo[b]thiophen-4-amine, 4,5,6,7-tetrahydro-, with the CAS registry number 58094-17-0, is also known as 4,5,6,7-Tetrahydro-benzo[b]thiophen-4-ylamine. This chemical's molecular formula is C₈H₁₁NS and molecular weight is 153.2446. What's more, its systematic name is called 4,5,6,7-Tetrahydro-1-benzothiophen-4-amine.

Physical properties about Benzo[b]thiophen-4-amine, 4,5,6,7-tetrahydro- are: (1)ACD/LogP: 1.85; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.22; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 31.48 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 44.97 cm³; (15)Molar Volume: 133.3 cm³; (16)Polarizability: 17.82×10^-24 cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.149 g/cm³; (19)Flash Point: 109.8 °C; (20)Enthalpy of Vaporization: 49.56 kJ/mol; (21)Boiling Point: 258 °C at 760 mmHg; (22)Vapour Pressure: 0.0141 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: s1c2c(cc1)C(N)CCC2
(2) InChI: InChI=1/C8H11NS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5,7H,1-3,9H2
(3) InChIKey: VPBWFYNSOJYNJP-UHFFFAOYAS

Product Name

4,5,6,7-Tetrahydro-1-benzothiophen-4-amine

Benzo[b]thiophen-4-amine, 4,5,6,7-tetrahydro- Specification

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