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36855-80-8

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Basic Information
CAS No.: 36855-80-8
Name: 4-Amino-N-(2-benzothiazolyl)benzamide
Article Data: 3
Molecular Structure:
Molecular Structure of 36855-80-8 (4-Amino-N-(2-benzothiazolyl)benzamide)
Formula: C14H11N3OS
Molecular Weight: 269.327
Synonyms: 4-Amino-N-[benzo[d]thiazol-2-yl]benzamide;4-Amino-N-benzothiazol-2-yl-benzamide;
Density: 1.437 g/cm3
PSA: 96.25000
LogP: 3.78500
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Specification

The Benzamide,4-amino-N-2-benzothiazolyl-, with the CAS registry number 36855-80-8, is also known as 4-Amino-N-benzothiazol-2-yl-benzamide. This chemical's molecular formula is C14H11N3OS and molecular weight is 269.3216. What's more, both its IUPAC name and systematic name are the same which is called 4-Amino-N-(1,3-benzothiazol-2-yl)benzamide.

Physical properties about Benzamide,4-amino-N-2-benzothiazolyl- are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 84.29; (6)ACD/BCF (pH 7.4): 84.35; (7)ACD/KOC (pH 5.5): 831.68; (8)ACD/KOC (pH 7.4): 832.35; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 64.68 Å2; (13)Index of Refraction: 1.79; (14)Molar Refractivity: 79.38 cm3; (15)Molar Volume: 187.4 cm3; (16)Polarizability: 31.46×10-24 cm3; (17)Surface Tension: 76.2 dyne/cm; (18)Density: 1.437 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(N)cc1)Nc2nc3ccccc3s2
(2)InChI: InChI=1/C14H11N3OS/c15-10-7-5-9(6-8-10)13(18)17-14-16-11-3-1-2-4-12(11)19-14/h1-8H,15H2,(H,16,17,18)
(3)InChIKey: AKZCUWIRBSFXJU-UHFFFAOYAN