N-Methyl-2-benzothiazolamine
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N-Methyl-2-benzothiazolamine
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CAS No:
16954-69-1
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Formula:
C8H8N2S
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Chemical Name:
N-Methyl-2-benzothiazolamine
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Synonyms:
2-Benzothiazolamine,N-methyl-;Benzothiazole,2-(methylamino)-;N-Methyl-2-benzothiazolamine;2-(Methylamino)benzothiazole;2-(N-Methylamino)benzothiazole;N-(2-Benzothiazolyl)methylamine;Benzothiazol-2-ylmethylamine
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CAS No:
Characteristics
53.2
2.41100
1.306±0.06 g/cm3(Predicted)
138 °C
270.1±23.0 °C(Predicted)
117.2ºC
1.73
0.00697mmHg at 25°C
Safety Information
IRRITANT
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
N-Methyl-2-benzothiazolamine Use and Manufacturing
The preparation method is to add chloroform into the reactor, then add dry 1-methyl-3-phenylthiourea and stir, the temperature is controlled at 50 ~ 60 ℃, add thionyl chloride to react for 2 h, then cool, and the material Add to water to separate layers, and then desolventize to get finished product. Sulfur chloride can also be used instead of thionyl chloride as a cyclizing agent. In addition, 2-mercaptobenzothiazole can be reacted with Na2S2O5 and CH3NH2, or 2-aminobenzothiazole can be reacted with CH3NH2 in the presence of NaHSO3 to obtain 2-methylaminobenzothiazole.
2-Methylaminobenzothiazole is an intermediate of the herbicide methylphenathion.
Computed Properties
Molecular Weight:164.23
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:164.04081944
Monoisotopic Mass:164.04081944
Topological Polar Surface Area:53.2
Heavy Atom Count:11
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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