2-Benzothiazolamine,N-(4-fluorophenyl)- supplier

Name
BENZOTHIAZOL-2-YL-(4-FLUORO-PHENYL)-AMINE
EINECS
CAS No. 348-45-8
Article Data17
CAS DataBase
Density 1.384 g/cm³
Solubility
Melting Point
Formula C₁₃H₉FN₂S
Boiling Point 372.2 °C at 760 mmHg
Molecular Weight 244.292
Flash Point 178.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (Benzothiazol-2-yl)(4-fluorophenyl)amine;N-(4-Fluorophenyl)-1,3-benzothiazol-2-amine;Benzothiazol-2-yl-(4-fluoro-phenyl)-amine;
PSA 53.16000
LogP 4.25200

2-Benzothiazolamine,N-(4-fluorophenyl)- Specification

The 2-Benzothiazolamine,N-(4-fluorophenyl)-, with the CAS registry number 348-45-8, is also known as (Benzothiazol-2-yl)(4-fluorophenyl)amine. This chemical's molecular formula is C₁₃H₉FN₂S and molecular weight is 198.48. What's more, its IUPAC name is N-(4-fluorophenyl)-1,3-benzothiazol-2-amine.

Physical properties of 2-Benzothiazolamine,N-(4-fluorophenyl)- are: (1)ACD/LogP: 4.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.42; (4)ACD/LogD (pH 7.4): 4.43; (5)ACD/BCF (pH 5.5): 1341.71; (6)ACD/BCF (pH 7.4): 1360.41; (7)ACD/KOC (pH 5.5): 6006.83; (8)ACD/KOC (pH 7.4): 6090.56; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.37 Å²; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 69.93 cm³; (15)Molar Volume: 176.5 cm³; (16)Polarizability: 27.72×10^-24cm³; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.384 g/cm³; (19)Flash Point: 178.9 °C; (20)Enthalpy of Vaporization: 61.94 kJ/mol; (21)Boiling Point: 372.2 °C at 760 mmHg; (22)Vapour Pressure: 9.75E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)NC3=CC=C(C=C3)F
(2)InChI: InChI=1S/C13H9FN2S/c14-9-5-7-10(8-6-9)15-13-16-11-3-1-2-4-12(11)17-13/h1-8H,(H,15,16)
(3)InChIKey: KQKQLYWDIYNFJP-UHFFFAOYSA-N

Product Name

BENZOTHIAZOL-2-YL-(4-FLUORO-PHENYL)-AMINE

2-Benzothiazolamine,N-(4-fluorophenyl)- Specification

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