CAS No.20174-70-3,2-HYDRAZINO-6-METHOXY-1,3-BENZOTHIAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20174-70-3
Name:	2-HYDRAZINO-6-METHOXY-1,3-BENZOTHIAZOLE
Article Data:	34

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
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