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10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-(1)benzopyropyrano(6,7-8-I,j)quinolizin-11-one

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Name

10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-(1)benzopyropyrano(6,7-8-I,j)quinolizin-11-one

EINECS
CAS No. 155306-71-1 Density 1.33 g/cm3
Solubility Melting Point 230-232 °C
Formula C26H26N2O2S Boiling Point 615.3 °C at 760 mmHg
Molecular Weight 430.56 Flash Point 325.9 °C
Transport Information Appearance red crystalline solid
Safety 22-24/25 Risk Codes
Molecular Structure Molecular Structure of 155306-71-1 (10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-(1)benzopyropyrano(6,7-8-I,j)quinolizin-11-one) Hazard Symbols
Synonyms

10-(2-Benzothiazolyl)-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one;C 545T;Coumarin 545T;NKX 1595;10-(1,3-benzothiazol-2-yl)-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one;

 

10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-(1)benzopyropyrano(6,7-8-I,j)quinolizin-11-one Specification

The 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-(1)benzopyropyrano(6,7-8-I,j)quinolizin-11-one, with the CAS registry number 155306-71-1, has the systematic name of 10-(1,3-benzothiazol-2-yl)-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one. It belongs to the categories of Electronic; Red Crystal Powder. And the molecular formula of the chemical is C26H26N2O2S. When you are dealing with the chemical, be cautious about it. You should not  to breathe dust and avoid contact with skin and eyes. 

The characteristics of this chemical are as followings: (1)ACD/LogP: 8.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.74; (4)ACD/LogD (pH 7.4): 7.99; (5)ACD/BCF (pH 5.5): 385763.69; (6)ACD/BCF (pH 7.4): 696660.81; (7)ACD/KOC (pH 5.5): 292433.28; (8)ACD/KOC (pH 7.4): 528112.94; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 70.67 Å2; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 124.44 cm3; (15)Molar Volume: 323.3 cm3; (16)Polarizability: 49.33×10-24cm3; (17)Surface Tension: 64.4 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 325.9 °C; (20)Enthalpy of Vaporization: 91.28 kJ/mol; (21)Boiling Point: 615.3 °C at 760 mmHg; (22)Vapour Pressure: 4.51E-15 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C6Oc3c(cc1c2N(CCC1(C)C)CCC(c23)(C)C)\C=C6\c4nc5ccccc5s4
(2)InChI: InChI=1/C26H26N2O2S/c1-25(2)9-11-28-12-10-26(3,4)20-21(28)17(25)14-15-13-16(24(29)30-22(15)20)23-27-18-7-5-6-8-19(18)31-23/h5-8,13-14H,9-12H2,1-4H3
(3)InChIKey: MSDMPJCOOXURQD-UHFFFAOYAB

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