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27714-24-5

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Basic Information
CAS No.: 27714-24-5
Name: 2,5-BIS((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)CYCLOPENTANONE
Molecular Structure:
Molecular Structure of 27714-24-5 (2,5-BIS((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)CYCLOPENTANONE)
Formula: C27H26N2OS2
Molecular Weight: 458.648
Synonyms: Cyclopentanone,2,5-bis[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]- (9CI);2,5-Bis[2-(3-ethyl-2-benzothiazolinylidene)ethylidene]cyclopentanone;Cyclopentanone,2,5-bis[2-(3-ethyl-2-benzothiazolinylidene)ethylidene]- (8CI);2,5-Bis[2-(3-ethyl-2-benzothiazolinylidene)ethylidene]cyclopentanone;
Density: 1.414 g/cm3
Melting Point: 240-242 °C
Boiling Point: 601.2 °C at 760 mmHg
Flash Point: 317.4 °C
PSA: 83.41000
LogP: 5.79790
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    Cyclopentanone,2,5-bis[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The CAS register number of Cyclopentanone,2,5-bis[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]- is 27714-24-5. It also can be called as 2,5-Bis[2-(3-ethyl-2-benzothiazolinylidene)ethylidene]cyclopentanone and the systematic name about this chemical is (2E,5E)-2,5-bis[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopentanone. The molecular formula about this chemical is C27H26N2OS2 and the molecular weight is 458.64.

Physical properties about Cyclopentanone,2,5-bis[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]- are: (1)ACD/LogP: 3.64; (2)ACD/LogD (pH 5.5): 3.64; (3)ACD/LogD (pH 7.4): 3.64; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 74.15 Å2; (7)Index of Refraction: 1.847; (8)Molar Refractivity: 144.6 cm3; (9)Molar Volume: 324.2 cm3; (10)Polarizability: 57.32x10-24cm3; (11)Surface Tension: 85 dyne/cm; (12)Density: 1.414 g/cm3; (13)Flash Point: 317.4 °C; (14)Enthalpy of Vaporization: 89.47 kJ/mol; (15)Boiling Point: 601.2 °C at 760 mmHg; (16)Vapour Pressure: 2.07E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCN1c2ccccc2SC1=CC=C3CCC(=CC=C4N(c5ccccc5S4)CC)C3=O
(2)InChI: InChI=1/C27H26N2OS2/c1-3-28-21-9-5-7-11-23(21)31-25(28)17-15-19-13-14-20(27(19)30)16-18-26-29(4-2)22-10-6-8-12-24(22)32-26/h5-12,15-18H,3-4,13-14H2,1-2H3/b19-15+,20-16+,25-17-,26-18-
(3)InChIKey: KNCTWHWLDNORSX-CSRDZSHGBO
(4)Std. InChI: InChI=1S/C27H26N2OS2/c1-3-28-21-9-5-7-11-23(21)31-25(28)17-15-19-13-14-20(27(19)30)16-18-26-29(4-2)22-10-6-8-12-24(22)32-26/h5-12,15-18H,3-4,13-14H2,1-2H3/b19-15+,20-16+,25-17-,26-18-
(5)Std. InChIKey: KNCTWHWLDNORSX-CSRDZSHGSA-N