CAS No.769-19-7,4-BROMO-BENZOTHIAZOL-5-YLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	769-19-7
Name:	4-BROMO-BENZOTHIAZOL-5-YLAMINE

Formula:	C₇H₅BrN₂S
Molecular Weight:	229.1
Synonyms:	Benzothiazole,5-amino-4-bromo- (7CI,8CI);4-Bromobenzothiazole-5-amine;5-Amino-4-bromobenzothiazole;
Density:	1.836 g/cm³
Melting Point:	115 °C
Boiling Point:	359.3 °C at 760 mmHg
Flash Point:	171.1 °C
Hazard Symbols:	T
Risk Codes:	25
Safety:	45
PSA:	67.15000
LogP:	3.22220

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Specification

The systematic name of 5-Amino-4-bromobenzothiazole is 4-bromo-1,3-benzothiazol-5-amine. With the CAS registry number 769-19-7, it is also named as 5-Benzothiazolamine,4-bromo-. In addition, its molecular formula is C₇H₅BrN₂S and its molecular weight is 229.10.

The other characteristics of 5-Amino-4-bromobenzothiazole can be summarized as: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.01; (6)ACD/BCF (pH 7.4): 19.01; (7)ACD/KOC (pH 5.5): 286.45; (8)ACD/KOC (pH 7.4): 286.53; (9)H bond acceptors: 2; (10)H bond donors: 2; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 67.15 Å²; (13)Index of Refraction: 1.783; (14)Molar Refractivity: 52.49 cm³; (15)Molar Volume: 124.7 cm³; (16)Polarizability: 20.81×10^-24cm³; (17)Surface Tension: 73.1 dyne/cm; (18)Density: 1.836 g/cm³; (19)Flash Point: 171.1 °C; (20)Enthalpy of Vaporization: 60.49 kJ/mol; (21)Boiling Point: 359.3 °C at 760 mmHg; (22)Vapour Pressure: 2.4E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Nc2ccc1scnc1c2Br
(2)InChI:InChI=1/C7H5BrN2S/c8-6-4(9)1-2-5-7(6)10-3-11-5/h1-3H,9H2
(3)InChIKey:FBUUMRBJJQXVRE-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C7H5BrN2S/c8-6-4(9)1-2-5-7(6)10-3-11-5/h1-3H,9H2
(5)Std. InChIKey:FBUUMRBJJQXVRE-UHFFFAOYSA-N