5-AMINO-2-METHYLBENZOTHIAZOLE

The 5-Benzothiazolamine,2-methyl-, with CAS registry number 13382-43-9, belongs to the following product category: Benzothiazole. It has the systematic name of 2-methyl-1,3-benzothiazol-5-amine. This chemical is one that exhibits great stability under normal temperature and pressure conditions. And the chemical formula of this chemical is C₈H₈N₂S.

Physical properties of 5-Benzothiazolamine,2-methyl-: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4.21; (7)ACD/KOC (pH 5.5): 92.6; (8)ACD/KOC (pH 7.4): 97.31; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.37 Å²; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 49.63 cm³; (15)Molar Volume: 124.8 cm³; (16)Polarizability: 19.67×10^-24cm³; (17)Surface Tension: 63.1 dyne/cm; (18)Density: 1.315 g/cm³; (19)Flash Point: 150.4 °C; (20)Enthalpy of Vaporization: 56.71 kJ/mol; (21)Boiling Point: 325 °C at 760 mmHg; (22)Vapour Pressure: 0.000237 mmHg at 25°C.

Uses of 5-Benzothiazolamine,2-methyl-: it can be used to produce 2-methyl-benzothiazol-5-ylamine and thiocarbonyl dichloride. This reaction will need solvent CHCl₃, H₂O.

When you are using this chemical, please be cautious about it as the following:
The 5-Benzothiazolamine,2-methyl- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c2cc(ccc2sc1C)N
(2)InChI: InChI=1/C8H8N2S/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,9H2,1H3
(3)InChIKey: GPWQHYMVUZYWIK-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H8N2S/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,9H2,1H3
(5)Std. InChIKey: GPWQHYMVUZYWIK-UHFFFAOYSA-N