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50850-95-8

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Basic Information
CAS No.: 50850-95-8
Name: 5,6-DIETHOXY-1,3-BENZOTHIAZOL-2-AMINE
Molecular Structure:
Molecular Structure of 50850-95-8 (5,6-DIETHOXY-1,3-BENZOTHIAZOL-2-AMINE)
Formula: C11H14N2O2S
Molecular Weight: 238.3061
Synonyms: 5,6-diethoxy-1,3-benzothiazol-2-amine;CID4961899;AKOS000122833;
Density: 1.257 g/cm3
Boiling Point: 387.2 °C at 760 mmHg
Flash Point: 188 °C
PSA: 85.61000
LogP: 3.25710
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Specification

The CAS register number of 2-Benzothiazolamine,5,6-diethoxy- is 50850-95-8. It also can be called as CID4961899 and the IUPAC name about this chemical is 5,6-diethoxy-1,3-benzothiazol-2-amine. The molecular formula about this chemical is C11H14N2O2S and the molecular weight is 238.3061.

Physical properties about 2-Benzothiazolamine,5,6-diethoxy- are: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 5.5): 2.63; (3)ACD/LogD (pH 7.4): 2.69; (4)ACD/BCF (pH 5.5): 56.6; (5)ACD/BCF (pH 7.4): 65.28; (6)ACD/KOC (pH 5.5): 600.33; (7)ACD/KOC (pH 7.4): 692.47; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 62.83 Å2; (12)Index of Refraction: 1.629; (13)Molar Refractivity: 67.42 cm3; (14)Molar Volume: 189.5 cm3; (15)Polarizability: 26.73x10-24cm3; (16)Surface Tension: 51.2 dyne/cm; (17)Density: 1.257 g/cm3; (18)Flash Point: 188 °C; (19)Enthalpy of Vaporization: 63.62 kJ/mol; (20)Boiling Point: 387.2 °C at 760 mmHg; (21)Vapour Pressure: 3.35E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c2cc(OCC)c(OCC)cc2sc1N
(2)InChI: InChI=1/C11H14N2O2S/c1-3-14-8-5-7-10(16-11(12)13-7)6-9(8)15-4-2/h5-6H,3-4H2,1-2H3,(H2,12,13)
(3)InChIKey: LMUXEVKUJYREDK-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C11H14N2O2S/c1-3-14-8-5-7-10(16-11(12)13-7)6-9(8)15-4-2/h5-6H,3-4H2,1-2H3,(H2,12,13)
(5)Std. InChIKey: LMUXEVKUJYREDK-UHFFFAOYSA-N