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18392-47-7

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Basic Information
CAS No.: 18392-47-7
Name: Ethanol, 2-(2-benzothiazolylamino)- (7CI,8CI,9CI)
Article Data: 9
Molecular Structure:
Molecular Structure of 18392-47-7 (Ethanol, 2-(2-benzothiazolylamino)- (7CI,8CI,9CI))
Formula: C9H10N2OS
Molecular Weight: 194.257
Synonyms: ZINC02053481;
Density: 1.39 g/cm3
Melting Point: 102-104 °C
Boiling Point: 357.6 °C at 760 mmHg
Flash Point: 170 °C
PSA: 73.39000
LogP: 1.77350
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Specification

The 2-(Benzothiazol-2-ylamino)ethanol, with the CAS registry number 18392-47-7, is also known as ZINC02053481. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C9H10N2OS and molecular weight is 194.2535. Its IUPAC name is called 2-(1,3-benzothiazol-2-ylamino)ethanol.

Physical properties of 2-(Benzothiazol-2-ylamino)ethanol: (1)ACD/LogP: 1.60; (2)ACD/LogD (pH 5.5): 1.59; (3)ACD/LogD (pH 7.4): 1.6; (4)ACD/BCF (pH 5.5): 9.41; (5)ACD/BCF (pH 7.4): 9.67; (6)ACD/KOC (pH 5.5): 171.88; (7)ACD/KOC (pH 7.4): 176.64; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.739; (12)Molar Refractivity: 56.34 cm3; (13)Molar Volume: 139.7 cm3; (14)Surface Tension: 69.7 dyne/cm; (15)Density: 1.39 g/cm3; (16)Flash Point: 170 °C; (17)Enthalpy of Vaporization: 63.62 kJ/mol; (18)Boiling Point: 357.6 °C at 760 mmHg; (19)Vapour Pressure: 9.83E-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)NCCO
(2)InChI: InChI=1S/C9H10N2OS/c12-6-5-10-9-11-7-3-1-2-4-8(7)13-9/h1-4,12H,5-6H2,(H,10,11)
(3)InChIKey: LLVFXPJHBXATPC-UHFFFAOYSA-N