CAS No.2941-69-7,5-Methoxy-2-methylbenzothiazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2941-69-7
Name:	5-Methoxy-2-methylbenzothiazole
Article Data:	6

Formula:	C₉H₉NOS
Molecular Weight:	179.243
Synonyms:	2-Methyl-5-methoxy-1,3-benzothiazole;
EINECS:	220-929-7
Density:	1.223 g/cm³
Melting Point:	36-40 °C(lit.)
Boiling Point:	284.2 °C at 760 mmHg
Flash Point:	125.7 °C
Appearance:	Light brown-green semi-transparent chunks
Safety:	24/25
PSA:	50.36000
LogP:	2.61330

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Specification

The Benzothiazole,5-methoxy-2-methyl- with the CAS number 2941-69-7 is also called 2-Methyl-5-methoxy-1,3-benzothiazole. The IUPAC name is 5-methoxy-2-methyl-1,3-benzothiazole. Its molecular formula is C₉H₉NOS. The EINECS registry number is 220-929-7. This chemical belongs to the following product categories: (1)Benzothiazole; (2)Intermediates of Dyes and Pigments; (3)Sulphur Derivatives; (4)Heterocyclic Compounds; (5)Building Blocks; (6)Heterocyclic Building Blocks; (7)Thiazoles.

The properties of the Benzothiazole,5-methoxy-2-methyl- are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.97; (6)ACD/BCF (pH 7.4): 34.22; (7)ACD/KOC (pH 5.5): 433.14; (8)ACD/KOC (pH 7.4): 436.32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.36 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 52.07 cm³; (15)Molar Volume: 146.5 cm³; (16)Polarizability: 20.64×10^-24cm³; (17)Surface Tension: 46.5 dyne/cm; (18)Enthalpy of Vaporization: 50.22 kJ/mol; (19)Vapour Pressure: 0.00517 mmHg at 25°C.

Uses: This chemical can prepare 2-amino-4-methoxy-thiophenol. This reaction needs reagent NaOH and solvent ethane-1,2-diol at heating condition. The reaction time is3.0 hours. The yield is 83%.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c2cc(OC)ccc2sc1C
(2)InChI: InChI=1/C9H9NOS/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3
(3)InChIKey: SAQMNBWVOKYKPZ-UHFFFAOYAO