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352214-93-8

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Basic Information
CAS No.: 352214-93-8
Name: 2-AMINO-5,6-DIFLUOROBENZOTHIAZOLE
Article Data: 5
Molecular Structure:
Molecular Structure of 352214-93-8 (2-AMINO-5,6-DIFLUOROBENZOTHIAZOLE)
Formula: C7H4F2N2S
Molecular Weight: 186.18
Synonyms: (5,6-Difluorobenzothiazol-2-yl)amine;5,6-Difluoro-2-benzothiazolamine;SKA 42;2-Amino-5,6-difluorobenzothiazole;
Density: 1.592 g/cm3
Boiling Point: 318.02 °C at 760 mmHg
Flash Point: 146.134 °C
PSA: 67.15000
LogP: 2.73790
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Specification

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