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Name |
2-Benzothiazolamine,5,6-difluoro- |
EINECS | N/A |
CAS No. | 352214-93-8 | Density | 1.592 g/cm3 |
PSA | 67.15000 | LogP | 2.73790 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H4F2N2S | Boiling Point | 318.02 °C at 760 mmHg |
Molecular Weight | 186.18 | Flash Point | 146.134 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(5,6-Difluorobenzothiazol-2-yl)amine;5,6-Difluoro-2-benzothiazolamine;SKA 42;2-Amino-5,6-difluorobenzothiazole; |
Article Data | 5 |
The 2-Benzothiazolamine,5,6-difluoro-, with the CAS registry number 352214-93-8, is also known as 2-Amino-5,6-difluorobenzothiazole. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C7H4F2N2S and molecular weight is 186.18. What's more, its systematic name is 5,6-difluoro-1,3-benzothiazol-2-amine.
Physical properties of 2-Benzothiazolamine,5,6-difluoro- are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.077; (4)ACD/LogD (pH 7.4): 2.082; (5)ACD/BCF (pH 5.5): 22.223; (6)ACD/BCF (pH 7.4): 22.524; (7)ACD/KOC (pH 5.5): 319.131; (8)ACD/KOC (pH 7.4): 323.461; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 67.15 Å2; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 44.795 cm3; (15)Molar Volume: 116.952 cm3; (16)Polarizability: 17.758×10-24cm3; (17)Surface Tension: 62.243 dyne/cm; (18)Density: 1.592 g/cm3; (19)Flash Point: 146.134 °C; (20)Enthalpy of Vaporization: 55.948 kJ/mol; (21)Boiling Point: 318.02 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c2c(cc(c1F)F)sc(n2)N
(2)InChI: InChI=1S/C7H4F2N2S/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H2,10,11)
(3)InChIKey: LTJNALXNNMUKHU-UHFFFAOYSA-N