CAS No.54346-87-1,5-METHOXY-1,3-BENZOTHIAZOL-2-AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54346-87-1
Name:	5-METHOXY-1,3-BENZOTHIAZOL-2-AMINE
Article Data:	17

Formula:	C₈H₈N₂OS
Molecular Weight:	180.23
Synonyms:	Benzothiazole,2-amino-5-methoxy- (6CI);(5-Methoxybenzothiazol-2-yl)amine;2-Amino-5-methoxybenzothiazole;5-Methoxy-2-benzothiazolamine;
EINECS:	259-118-8
Density:	1.359 g/cm³
Melting Point:	154 °C
Boiling Point:	347.5 °C at 760 mmHg
Flash Point:	163.9 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	76.38000
LogP:	2.46830

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Specification

The 2-Amino-5-methoxybenzothiazole, with the CAS registry number 54346-87-1, is also known as 5-Methoxy-2-benzothiazolamine. It belongs to the product categories of Benzothiazole; Amines; Thiazoles, Isothiazoles & Benzothiazoles; Thiazoles, Isothiazoles & Benzothiazoles. Its EINECS registry number is 259-118-8. 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 5-Methoxy-1,3-benzothiazol-2-amine.

Physical properties about 2-Amino-5-methoxybenzothiazole are: (1) ACD/LogP: 1.81; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.71; (4) ACD/LogD (pH 7.4): 1.81; (5) ACD/BCF (pH 5.5): 11.07; (6) ACD/BCF (pH 7.4): 13.87; (7) ACD/KOC (pH 5.5): 182.24; (8) ACD/KOC (pH 7.4): 228.42; (9) #H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 53.6 Å²; (13) Index of Refraction: 1.704; (14) Molar Refractivity: 51.48 cm³; (15) Molar Volume: 132.5 cm³; (16) Surface Tension: 61.3 dyne/cm; (17) Density: 1.359 g/cm³; (18) Flash Point: 163.9 °C; (19) Enthalpy of Vaporization: 59.17 kJ/mol; (20) Boiling Point: 347.5 °C at 760 mmHg; (21) Vapour Pressure: 5.38E-05 mmHg at 25 °C.

Uses of 2-Amino-5-methoxybenzothiazole: it is used to produce other chemicals. For example, it is used to produce 2-Chloro-N-(5-methoxy-benzothiazol-2-yl)-acetamide.

The reaction occurs with reagent Acetic acid and at temperature of 10 - 30 °C. The yield is 62 %.

When you are dealing with 2-Amino-5-methoxybenzothiazole, you should be very careful. This chemical is irritating and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it when you are using this chemical.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c2cc(OC)ccc2sc1N
(2) InChI: InChI=1/C8H8N2OS/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10)
(3) InChIKey: OMIHQJBWAPWLBO-UHFFFAOYAB

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	150mg/kg (150mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.