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CAS No.: | 13599-84-3 |
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Name: | 6-Benzothiazolol(7CI,8CI,9CI) |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C7H5NOS |
Molecular Weight: | 151.189 |
Synonyms: | 6-Hydroxybenzothiazole; |
Density: | 1.444 g/cm3 |
Melting Point: | 185.0 to 189.0 °C |
Boiling Point: | 311.6 °C at 760 mmHg |
Flash Point: | 142.3 °C |
PSA: | 61.36000 |
LogP: | 2.00190 |
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The 6-Benzothiazolol is an organic compound with the formula C7H5NOS. The IUPAC name of this chemical is 1,3-benzothiazol-6-ol. With the CAS registry number 13599-84-3, it is also named as 6-Hydroxybenzothiazole. The product's category is Benzothiazole.
Physical properties about 6-Benzothiazolol are: (1)ACD/LogP: 1.27; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 50.36 Å2; (6)Index of Refraction: 1.745; (7)Molar Refractivity: 42.45 cm3; (8)Molar Volume: 104.6 cm3; (9)Polarizability: 16.82×10-24cm3; (10)Surface Tension: 70.5 dyne/cm; (11)Density: 1.444 g/cm3; (12)Flash Point: 142.3 °C; (13)Enthalpy of Vaporization: 57.46 kJ/mol; (14)Boiling Point: 311.6 °C at 760 mmHg; (15)Vapour Pressure: 0.000304 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c2ccc(O)cc2sc1
(2)InChI: InChI=1/C7H5NOS/c9-5-1-2-6-7(3-5)10-4-8-6/h1-4,9H
(3)InChIKey: ORIIXCOYEOIFSN-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H5NOS/c9-5-1-2-6-7(3-5)10-4-8-6/h1-4,9H
(5)Std. InChIKey: ORIIXCOYEOIFSN-UHFFFAOYSA-N