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180340-57-2

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Basic Information
CAS No.: 180340-57-2
Name: 5,6,7,8-TETRAHYDRO-4H-THIENO[3,2-B]AZEPINE
Article Data: 9
Molecular Structure:
Molecular Structure of 180340-57-2 (5,6,7,8-TETRAHYDRO-4H-THIENO[3,2-B]AZEPINE)
Formula: C8H11NS
Molecular Weight: 153.248
Synonyms: 4H,5H,6H,7H,8H-Thieno[3,2-b]azepine;
Density: 1.098 g/cm3
Boiling Point: 279.215 °C at 760 mmHg
Flash Point: 122.665 °C
PSA: 40.27000
LogP: 2.63430
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Specification

The 4H-Thieno[3,2-b]azepine,5,6,7,8-tetrahydro-, with the CAS registry number of 180340-57-2, is also known as 4H,5H,6H,7H,8H-Thieno[3,2-b]azepine. Its molecular formula is C8H11NS and molecular weight is 153.24. What's more, its systematic name is 5,6,7,8-Tetrahydro-4H-thieno[3,2-b]azepine.

Physical properties about the 4H-Thieno[3,2-b]azepine,5,6,7,8-tetrahydro- are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 40.27 Å2; (7)Index of Refraction: 1.555; (8)Molar Refractivity: 44.771 cm3; (9)Molar Volume: 139.513 cm3; (10)Surface Tension: 39.388 dyne/cm; (11)Density: 1.098 g/cm3; (12)Flash Point: 122.665 °C; (13)Enthalpy of Vaporization: 51.788 kJ/mol; (14)Boiling Point: 279.215 °C at 760 mmHg; (15)Vapour Pressure: 0.004 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: s1ccc2NCCCCc12
(2) InChI: InChI=1/C8H11NS/c1-2-5-9-7-4-6-10-8(7)3-1/h4,6,9H,1-3,5H2
(3) InChIKey: BXQBADSCRTXJPX-UHFFFAOYAP