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Name |
6-Benzothiazolol,2-(4-aminophenyl)- |
EINECS | N/A |
CAS No. | 178804-18-7 | Density | 1.406 g/cm3 |
PSA | 87.38000 | LogP | 3.83230 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H10N2OS | Boiling Point | 488.8 °C at 760 mmHg |
Molecular Weight | 242.301 | Flash Point | 249.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(4-Aminophenyl)-6-hydroxybenzothiazole; |
Article Data | 9 |
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