4-Methoxy-2-aminobenzothiazole

The 4-Methoxy-2-aminobenzothiazole, with the CAS registry number 5464-79-9, is also known as 2-Benzothiazolamine, 4-methoxy-. It belongs to the product categories of Benzothiazole; Amines; Thiazoles, Isothiazoles & Benzothiazoles; Thiazoles, Isothiazoles & Benzothiazoles; Building Blocks; Heterocyclic Building Blocks; Thiazoles. Its EINECS registry number is 226-763-1. This chemical's molecular formula is C₈H₈N₂OS and molecular weight is 180.23. What's more, both its IUPAC name and systematic name are the same which is called 4-Methoxy-1,3-benzothiazol-2-amine. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 4-Methoxy-2-aminobenzothiazole are: (1)ACD/LogP: 1.873; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.04; (6)ACD/BCF (pH 7.4): 15.61; (7)ACD/KOC (pH 5.5): 239.62; (8)ACD/KOC (pH 7.4): 248.79; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 76.38 Å²; (13)Index of Refraction: 1.705; (14)Molar Refractivity: 51.486 cm³; (15)Molar Volume: 132.535 cm³; (16)Polarizability: 20.411×10^-24cm³; (17)Surface Tension: 61.346dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 163.935 °C; (20)Enthalpy of Vaporization: 59.173 kJ/mol; (21)Boiling Point: 347.455 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c2c(OC)cccc2sc1N
(2) InChI: InChI=1S/C8H8N2OS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3,(H2,9,10)
(3) InChIKey: YEBCRAVYUWNFQT-UHFFFAOYSA-N

The toxicity data is as follows: