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2-Amino-6-benzothiazolol hydrochloride

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Name

2-Amino-6-benzothiazolol hydrochloride

EINECS N/A
CAS No. 26278-78-4 Density N/A
PSA 87.38000 LogP 2.96730
Solubility N/A Melting Point 263-265 °C
Formula C7H6N2OS.HCl Boiling Point 409.2°Cat760mmHg
Molecular Weight 202.664 Flash Point 201.3°C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 26278-78-4 (2-AMINO-6-BENZOTHIAZOLOL HCL) Hazard Symbols Xn
Synonyms

6-Benzothiazolol,2-amino-, monohydrochloride (8CI,9CI);2-Amino-6-benzothiazolol hydrochloride;

Article Data 3

2-Amino-6-benzothiazolol hydrochloride Specification

The 2-Amino-6-benzothiazolol hydrochloride with the cas number 26278-78-4 is also called 6-Benzothiazolol,2-amino-, hydrochloride (1:1). Both the systematic name and IUPAC name are 2-amino-1,3-benzothiazol-6-ol hydrochloride. Its molecular formula is C7H6N2OS.HCl. The product's category is pharmacetical.

The properties of the chemical are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0   ; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 87.38 Å2; (7)Flash Point: 201.3 °C; (8)Enthalpy of Vaporization: 68.71 kJ/mol; (9)Boiling Point: 409.2 °C at 760 mmHg; (10)Vapour Pressure: 2.79×10-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Oc1ccc2nc(N)sc2c1
(2)InChI: InChI=1/C7H6N2OS.ClH/c8-7-9-5-2-1-4(10)3-6(5)11-7;/h1-3,10H,(H2,8,9);1H
(3)InChIKey: VLQGGLVKPGDBAH-UHFFFAOYAZ

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