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10205-71-7

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Basic Information
CAS No.: 10205-71-7
Name: Benzenamine, 4-(6-methoxy-2-benzothiazolyl)-N,N-dimethyl-
Article Data: 9
Molecular Structure:
Molecular Structure of 10205-71-7 (Benzenamine, 4-(6-methoxy-2-benzothiazolyl)-N,N-dimethyl-)
Formula: C16H16N2OS
Molecular Weight: 284.382
Synonyms: 6-Methoxy-2-(4-dimethylaminophenyl)benzothiazole;Benzothiazole, 2-[p-(dimethylamino)phenyl]-6-methoxy- (7CI,8CI);
Density: 1.218 g/cm3
Melting Point: 182 °C
Boiling Point: 447.873 °C at 760 mmHg
Flash Point: 224.666 °C
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Specification

4-(6-Methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylaniline, with the CAS registry number 10205-71-7, is also named as 6-Methoxy-2-(4-dimethylaminophenyl)benzothiazole. This chemical's molecular formula is C16H16N2OS and molecular weight is 284.38. What's more, its systematic name is 4-(6-Methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylaniline.

Physical properties of 4-(6-Methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylaniline are: (1)ACD/LogP: 3.854; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 498.28; (6)ACD/BCF (pH 7.4): 499.94; (7)ACD/KOC (pH 5.5): 2965.10; (8)ACD/KOC (pH 7.4): 2974.98; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.6 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 86.155 cm3; (15)Molar Volume: 233.531 cm3; (16)Polarizability: 34.155×10-24cm3; (17)Surface Tension: 49.8 dyne/cm; (18)Density: 1.218 g/cm3; (19)Flash Point: 224.666 °C; (20)Enthalpy of Vaporization: 70.629 kJ/mol; (21)Boiling Point: 447.873 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c3ccc(OC)cc3sc1c2ccc(N(C)C)cc2
(2)Std. InChI: InChI=1S/C16H16N2OS/c1-18(2)12-6-4-11(5-7-12)16-17-14-9-8-13(19-3)10-15(14)20-16/h4-10H,1-3H3
(3)Std. InChIKey: POFIKJKJPDPHTI-UHFFFAOYSA-N