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| CAS No.: | 20174-70-3 |
|---|---|
| Name: | 2-HYDRAZINO-6-METHOXY-1,3-BENZOTHIAZOLE |
| Molecular Structure: | |
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| Formula: | C8H9N3OS |
| Molecular Weight: | 195.245 |
| Synonyms: | 2(3H)-Benzothiazolone,6-methoxy-, hydrazone (9CI);Benzothiazole, 2-hydrazino-6-methoxy- (7CI,8CI);2-Hydrazino-6-methoxybenzothiazole; |
| Density: | 1.426 g/cm3 |
| Melting Point: | 164-167 °C |
| Boiling Point: | 364.7 °C at 760 mmHg |
| Flash Point: | 174.4 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 88.41000 |
| LogP: | 2.36380 |
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Specification
The Benzothiazole,2-hydrazinyl-6-methoxy-, with the CAS registry number 20174-70-3, is also known as 2-Hydrazinyl-6-methoxy-1,3-benzothiazole. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C8H9N3OS and molecular weight is 195.24. What's more, its IUPAC name is called (6-Methoxy-1,3-benzothiazol-2-yl)hydrazine. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzothiazole,2-hydrazinyl-6-methoxy- are: (1) ACD/LogP: 1.61; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.567; (4) ACD/LogD (pH 7.4): 1.613; (5) ACD/BCF (pH 5.5): 8.896; (6) ACD/BCF (pH 7.4): 9.908; (7) ACD/KOC (pH 5.5): 161.271; (8) ACD/KOC (pH 7.4): 179.632; (9) #H bond acceptors: 4; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 88.41 Å2; (13) Index of Refraction: 1.75; (14) Molar Refractivity: 55.761 cm3; (15) Molar Volume: 136.882 cm3; (16) Surface Tension: 68.104 dyne/cm; (17) Density: 1.426 g/cm3; (18) Flash Point: 174.377 °C; (19) Enthalpy of Vaporization: 61.093 kJ/mol; (20) Boiling Point: 364.72 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25°C; (22) Melting Point: 164-167 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc2c(c1)sc(n2)NN
(2) InChI: InChI=1/C8H9N3OS/c1-12-5-2-3-6-7(4-5)13-8(10-6)11-9/h2-4H,9H2,1H3,(H,10,11)
(3) InChIKey: QAMZBKMFWQSHDV-UHFFFAOYAF