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41230-21-1

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Basic Information
CAS No.: 41230-21-1
Name: 3-BENZOTHIAZOL-2-YL-PHENYLAMINE
Article Data: 12
Molecular Structure:
Molecular Structure of 41230-21-1 (3-BENZOTHIAZOL-2-YL-PHENYLAMINE)
Formula: C13H10N2S
Molecular Weight: 226.302
Synonyms: 2-(3-Aminophenyl)benzothiazole;2-(m-Aminophenyl)benzothiazole;3-(Benzo[d]thiazol-2-yl)aniline;3-(Benzothiazol-2-yl)phenylamine;
Density: 1.301 g/cm3
Melting Point: 135-137℃
Boiling Point: 437.7 °C at 760 mmHg
Flash Point: 218.5 °C
Solubility: Sparingly soluble in water.(0.26 g/L) (25°C),
Hazard Symbols: IrritantXi
PSA: 67.15000
LogP: 4.12670
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Specification

The CAS register number of Benzenamine,3-(2-benzothiazolyl)- is 41230-21-1. It also can be called as 3-Benzothiazol-2-yl-phenylamine and the IUPAC name about this chemical is 3-(1,3-benzothiazol-2-yl)aniline. The molecular formula about this chemical is C13H10N2S and the molecular weight is 226.3.

Physical properties about Benzenamine,3-(2-benzothiazolyl)- are: (1)ACD/LogP: 3.29; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 44.37Å2; (6)Index of Refraction: 1.73; (7)Molar Refractivity: 69.39 cm3; (8)Molar Volume: 173.8 cm3; (9)Polarizability: 27.51x10-24cm3; (10)Surface Tension: 61.9 dyne/cm; (11)Flash Point: 218.5 °C; (12)Enthalpy of Vaporization: 69.44 kJ/mol; (13)Boiling Point: 437.7 °C at 760 mmHg; (14)Vapour Pressure: 7.3E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c3ccccc3sc1c2cccc(N)c2
(2)InChI: InChI=1/C13H10N2S/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,14H2
(3)InChIKey: MKMRZZJJDIBAJF-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H10N2S/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,14H2
(5)Std. InChIKey: MKMRZZJJDIBAJF-UHFFFAOYSA-N