2-Amino-4-trifluoromethoxybenzothiazole supplier

Name
2-Amino-4-trifluoromethoxybenzothiazole
EINECS
CAS No. 235101-36-7
Article Data4
CAS DataBase
Density 1.573 g/cm³
Solubility
Melting Point 72 °C
Formula C₈H₅F₃N₂OS
Boiling Point 296.277 °C at 760 mmHg
Molecular Weight 234.202
Flash Point 132.984 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-4-trifluoromethoxybenzothiazole;4-Trifluoromethoxy-benzothiazol-2-ylamine;
PSA 77.11000
LogP 2.70720

2-Amino-4-trifluoromethoxybenzothiazole Specification

The systematic name of 2-Amino-4-trifluoromethoxybenzothiazole is 4-(trifluoromethoxy)-1,3-benzothiazol-2-amine. With the CAS registry number 235101-36-7, it is also named as 2-Benzothiazolamine,4-(trifluoromethoxy)-. In addition, its molecular formula is C₈H₅F₃N₂OS and its molecular weight is 234.20.

The other characteristics of 2-Amino-4-trifluoromethoxybenzothiazole can be summarized as: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 85; (6)ACD/BCF (pH 7.4): 85; (7)ACD/KOC (pH 5.5): 837; (8)ACD/KOC (pH 7.4): 838; (9)H bond acceptors: 3; (10)H bond donors: 2; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 76.38 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 51.943 cm³; (15)Molar Volume: 148.926 cm³; (16)Polarizability: 20.592×10^-24cm³; (17)Surface Tension: 49.255 dyne/cm; (18)Density: 1.573 g/cm³; (19)Flash Point: 132.984 °C; (20)Melting point: 72 °C; (21)Enthalpy of Vaporization: 53.604 kJ/mol; (22)Boiling Point: 296.277 °C at 760 mmHg; (23)Vapour Pressure: 0.001 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:FC(F)(F)Oc1cccc2sc(nc12)N
(2)InChI:InChI=1/C8H5F3N2OS/c9-8(10,11)14-4-2-1-3-5-6(4)13-7(12)15-5/h1-3H,(H2,12,13)
(3)InChIKey:YSURRMGJTOKALN-UHFFFAOYAH
(4)Std. InChI:InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-2-1-3-5-6(4)13-7(12)15-5/h1-3H,(H2,12,13)
(5)Std. InChIKey:YSURRMGJTOKALN-UHFFFAOYSA-N

Product Name

2-Amino-4-trifluoromethoxybenzothiazole

2-Amino-4-trifluoromethoxybenzothiazole Specification

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