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1209-66-1

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Basic Information
CAS No.: 1209-66-1
Name: 10H-phenothiazine 5,5-dioxide
Article Data: 28
Molecular Structure:
Molecular Structure of 1209-66-1 (10H-phenothiazine 5,5-dioxide)
Formula: C12H9NO2S
Molecular Weight: 231.275
Synonyms: Phenothiazine,5,5-dioxide (6CI,7CI,8CI);5,5-Dioxophenothiazine;Phenothiazine S,S-dioxide;
EINECS: 214-907-6
Density: 1.371 g/cm3
Melting Point: 160-161 °C
Boiling Point: 454 °C at 760 mmHg
Flash Point: 228.4 °C
PSA: 54.55000
LogP: 3.79520
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Specification

The 10H-Phenothiazine, 5, 5-dioxide, with the CAS registry number of 1209-66-1, is also known as Phenothiazine, 5, 5-dioxide. Its EINECS registry number is 214-907-6. This chemical's molecular formula is C12H9NO2S and molecular weight is 231.27036. What's more, its systematic name is called 10H-Phenothiazine 5, 5-dioxide.

Physical properties about 10H-Phenothiazine, 5, 5-dioxide are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.28; (6)ACD/BCF (pH 7.4): 12.28; (7)ACD/KOC (pH 5.5): 209.54; (8)ACD/KOC (pH 7.4): 209.54; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 61.87 cm3; (15)Molar Volume: 168.6 cm3; (16)Surface Tension: 51.6 dyne/cm; (17)Density: 1.371 g/cm3; (18)Flash Point: 228.4 °C; (19)Enthalpy of Vaporization: 71.35 kJ/mol; (20)Boiling Point: 454 °C at 760 mmHg; (21)Vapour Pressure: 1.98E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S3(=O)c1ccccc1Nc2c3cccc2
(2) InChI: InChI=1/C12H9NO2S/c14-16(15)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)16/h1-8,13H
(3) InChIKey: ZAYUOSICZWFJSW-UHFFFAOYAH