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178804-18-7

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Basic Information
CAS No.: 178804-18-7
Name: 6-OH-BTA-0
Article Data: 9
Molecular Structure:
Molecular Structure of 178804-18-7 (6-OH-BTA-0)
Formula: C13H10N2OS
Molecular Weight: 242.301
Synonyms: 2-(4-Aminophenyl)-6-hydroxybenzothiazole;
Density: 1.406 g/cm3
Boiling Point: 488.8 °C at 760 mmHg
Flash Point: 249.4 °C
PSA: 87.38000
LogP: 3.83230
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Specification

The CAS registry number of 6-Benzothiazolol,2-(4-aminophenyl)- is 178804-18-7. This chemical is also named as 2-(4-Aminophenyl)-6-hydroxybenzothiazole. In addition, its molecular formula is C13H10N2OS and molecular weight is 242.2963. Its systematic name is called 2-(4-aminophenyl)-1,3-benzothiazol-6-ol.

Physical properties about this chemical are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 74.17; (6)ACD/BCF (pH 7.4): 70.6; (7)ACD/KOC (pH 5.5): 758.29; (8)ACD/KOC (pH 7.4): 721.83; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3 ; (12)Index of Refraction: 1.765; (13)Molar Refractivity: 71.28 cm3; (14)Molar Volume: 172.2 cm3; (15)Surface Tension: 72.5 dyne/cm; (16)Density: 1.406 g/cm3; (17)Flash Point: 249.4 °C; (18)Enthalpy of Vaporization: 78.37 kJ/mol; (19)Boiling Point: 488.8 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c3ccc(O)cc3sc1c2ccc(N)cc2
(2)InChI: InChI=1/C13H10N2OS/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(16)7-12(11)17-13/h1-7,16H,14H2
(3)InChIKey: KYQOWAHXMWGEJG-UHFFFAOYAA