6-Benzothiazolamine,7-bromo- supplier

Name
6-AMINO-7-BROMO-BENZOTHIAZOLE
EINECS
CAS No. 769-20-0
Article Data8
CAS DataBase
Density 1.836 g/cm³
Solubility
Melting Point 123 °C
Formula C₇H₅BrN₂S
Boiling Point 359.3 °C at 760 mmHg
Molecular Weight 229.1
Flash Point 171.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Amino-7-bromobenzothiazole;
PSA 67.15000
LogP 3.22220

6-Benzothiazolamine,7-bromo- Specification

The 6-Benzothiazolamine,7-bromo-, with the CAS registry number of 769-20-0, is also known as 6-Amino-7-bromobenzothiazole. This chemical's molecular formula is C₇H₅BrN₂S and molecular weight is 229.097. What's more, its systematic name is 7-Bromo-1,3-benzothiazol-6-amine.

Physical properties about the 6-Benzothiazolamine,7-bromo- are: (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): 286.48; (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: 44.37 Å²; (13)Index of Refraction: 1.783; (14)Molar Refractivity: 52.49 cm³; (15)Molar Volume: 124.7 cm³; (16)Surface Tension: 73.1 dyne/cm; (17)Density: 1.836 g/cm³; (18)Flash Point: 171.1 °C; (19)Enthalpy of Vaporization: 60.49 kJ/mol; (20)Boiling Point: 359.3 °C at 760 mmHg; (21)Vapour Pressure: 2.4E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1c(ccc2ncsc12)N
(2) InChI: InChI=1/C7H5BrN2S/c8-6-4(9)1-2-5-7(6)11-3-10-5/h1-3H,9H2
(3) InChIKey: NXVRHVCMVAAPCY-UHFFFAOYAH

Product Name

6-AMINO-7-BROMO-BENZOTHIAZOLE

6-Benzothiazolamine,7-bromo- Specification

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