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Basic Information
CAS No.: 14779-17-0
Name: 5-Methyl-2-aminobenzothiazole
Article Data: 23
Molecular Structure:
Molecular Structure of 14779-17-0 (5-Methyl-2-aminobenzothiazole)
Formula: C8H8N2S
Molecular Weight: 164.231
Synonyms: Benzothiazole,2-amino-5-methyl- (6CI,8CI);5-Methyl-2-Benzothiazolylamine;5-Methyl-2-aminobenzothiazole;NSC 44453;NSC45346;
Density: 1.315 g/cm3
Melting Point: 182-184 °C(Solv: benzene (71-43-2))
Boiling Point: 322 °C at 760 mmHg
Flash Point: 148.6 °C
PSA: 67.15000
LogP: 2.76810
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  • 2-Amino-5-methylbenzothiazole

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  • 5-methyl-1,3-benzothiazol-2-amine

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Chemistry

Molecular Structure of 2-Benzothiazolamine,5-methyl- (CAS NO.14779-17-0):


IUPAC: 5-Methyl-1,3-benzothiazol-2-amine
Molecular Formula: C8H8N2S
Molecular Weight: 164.23
Product Categories: BENZOTHIAZOLE
Flash Point: 148.6oC 
Boiling Point: 322oC at 760 mmHg 
Density: 1.315 g/cm3 
Index of Refraction: 1.726 
Molar Volume: 124.8 cm3 
Surface Tension: 63.1 dyne/cm 
Molar Refractivity: 49.63 cm3 
Enthalpy of Vaporization: 56.38 kJ/mol 
Vapour Pressure: 0.000287 mmHg at 25oC 
SMILES: n1c2cc(ccc2sc1N)C 
InChI: InChI=1/C8H8N2S/c1-5-2-3-7-6(4-5)10-8(9)11-7/h2-4H,1H3,(H2,9,10)  
InChIKey: MELAGXOBBSTJPI-UHFFFAOYAK 

Toxicity Data With Reference

mouse LD50 intravenous 74mg/kg (74mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.
mouse LD50 oral 1070mg/kg (1070mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.

Specification

 2-Benzothiazolamine,5-methyl- with cas registry number of 14779-17-0 is also known as 2-Amino-5-methylbenzothiazole ; 5-Methyl-2-aminobenzothiazole ; 2-Benzothiazolamine, 5-methyl- (9CI) ; Benzothiazole, 2-amino-5-methyl- . 2-Benzothiazolamine,5-methyl- with cas registry number of 14779-17-0 is used as a pharmaceutical intermediate.