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75618-99-4

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Basic Information
CAS No.: 75618-99-4
Name: 5-Isothiocyanato-1,10-phenanthroline
Molecular Structure:
Molecular Structure of 75618-99-4 (5-Isothiocyanato-1,10-phenanthroline)
Formula: C13H7N3S
Molecular Weight: 237.04
Synonyms: 5-Isothiocyanato-1,10-phenanthroline;
Density: 1.32 g/cm3
Boiling Point: 468.4 °C at 760 mmHg
Flash Point: 237.1 °C
PSA: 70.23000
LogP: 3.51730
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Specification

The 1,10-Phenanthroline,5-isothiocyanato- is an organic compound with the formula C13H7N3S. The systematic name of this chemical is 5-Isothiocyanato-1,10-phenanthroline. The CAS registry number of this chemical is 75618-99-4. The category of the product is Electronic Chemicals. Besides, its molecular weight is 237.04.

The physical properties of 1,10-Phenanthroline,5-isothiocyanato- are: (1)ACD/LogP: 2.80; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 70.23 Å2; (5)Index of Refraction: 1.727; (6)Molar Refractivity: 71.29 cm3; (7)Molar Volume: 179.1 cm3; (8)Polarizability: 28.26×10-24 cm3; (9)Surface Tension: 51.4 dyne/cm; (10)Density: 1.32 g/cm3; (11)Flash Point: 237.1 °C; (12)Enthalpy of Vaporization: 70.26 kJ/mol; (13)Boiling Point: 468.4 °C at 760 mmHg; (14)Vapour Pressure: 1.69E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C=N/c2cc1cccnc1c3ncccc23
(2)Std. InChI: InChI=1S/C13H7N3S/c17-8-16-11-7-9-3-1-5-14-12(9)13-10(11)4-2-6-15-13/h1-7H
(3)Std. InChIKey: TZAFRFYNRUUPFS-UHFFFAOYSA-N