Benzo[b]thiophen-2-amine,3-(2-benzothiazolyl)-4,5,6,7-tetrahydro- supplier

Name
3-BENZOTHIAZOL-2-YL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-2-YLAMINE
EINECS
CAS No. 143361-87-9
Article Data3
CAS DataBase
Density 1.363 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₄N₂S₂
Boiling Point 526.9 °C at 760 mmHg
Molecular Weight 286.422
Flash Point 272.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine;
PSA 95.39000
LogP 5.06700

Benzo[b]thiophen-2-amine,3-(2-benzothiazolyl)-4,5,6,7-tetrahydro- Specification

The Benzo[b]thiophen-2-amine, 3-(2-benzothiazolyl)-4, 5, 6, 7-tetrahydro-, with the CAS registry number 143361-87-9, is also known as 3-Benzothiazol-2-yl-4, 5, 6, 7-tetrahydro-benzo[b]thiophen-2-ylamine. This chemical's molecular formula is C₁₅H₁₄N₂S₂ and molecular weight is 286.4151. What's more, its IUPAC name is 3-(1, 3-Benzothiazol-2-yl)-4, 5, 6, 7-tetrahydro-1-benzothiophen-2-amine.

Physical properties about Benzo[b]thiophen-2-amine, 3-(2-benzothiazolyl)-4, 5, 6, 7-tetrahydro- are: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 72.61 Å²; (7)Index of Refraction: 1.738; (8)Molar Refractivity: 84.56 cm³; (9)Molar Volume: 210.1 cm³; (10)Polarizability: 33.52×10^-24 cm³; (11)Surface Tension: 65.1 dyne/cm; (12)Density: 1.363 g/cm³; (13)Flash Point: 272.5 °C; (14)Enthalpy of Vaporization: 80.14 kJ/mol; (15)Boiling Point: 526.9 °C at 760 mmHg; (16)Vapour Pressure: 3.42E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c4ccccc4sc1c2c3c(sc2N)CCCC3
(2) InChI: InChI=1/C15H14N2S2/c16-14-13(9-5-1-3-7-11(9)18-14)15-17-10-6-2-4-8-12(10)19-15/h2,4,6,8H,1,3,5,7,16H2
(3) InChIKey: JFFSOOBVRATNTK-UHFFFAOYAA

Product Name

3-BENZOTHIAZOL-2-YL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-2-YLAMINE

Benzo[b]thiophen-2-amine,3-(2-benzothiazolyl)-4,5,6,7-tetrahydro- Specification

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