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Name |
3-Phenothiazone |
EINECS | N/A |
CAS No. | 581-30-6 | Density | 1.36g/cm3 |
PSA | 58.20000 | LogP | 2.76130 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H7NOS | Boiling Point | 349.3 °C at 760 mmHg |
Molecular Weight | 213.26 | Flash Point | 165 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Phenothiazone;Phenothiazin-3-one; |
Article Data | 2 |
The 3-Phenothiazone, with the CAS registry number 581-30-6, is also known as Phenothiazone and Phenothiazin-3-one. This chemical's molecular formula is C12H7NOS and molecular weight is 213.25508. What's more, its systematic name is called 3H-Phenothiazine-3-one.
Physical properties about this chemical are: (1)ACD/LogP: 1.76; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.72; (6)ACD/BCF (pH 7.4): 12.72; (7)ACD/KOC (pH 5.5): 214.87; (8)ACD/KOC (pH 7.4): 214.87; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.73Å2; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 61.91 cm3; (15)Molar Volume: 156.7 cm3; (16)Surface Tension: 55.7 dyne/cm; (17)Density: 1.36 g/cm3; (18)Flash Point: 165 °C; (19)Enthalpy of Vaporization: 59.38 kJ/mol; (20)Boiling Point: 349.3 °C at 760 mmHg; (21)Vapour Pressure: 4.75E-05 mmHg at 25 °C.
Preparation of 3-Phenothiazone: this chemical can be prepared by 10H-Phenothiazine.
This reaction needs reagent Bis(trifluoroacetoxy)pentafluoroiodobenzene and solvents Acetonitrile, H2O. The reaction time is 1 hour. The yield is 80%.
Uses of 3-Phenothiazone: it is used to produce other chemicals. For example, it is used to produce 4-Iodo-phenothiazin-3-one.
The reaction occurs with reagent 1,3-Diiodo-5,5-dimethylhydantoin and other condition of heating for 48 hours. The yield is 87%.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C/2/C=C\C1=N\c3c(S/C1=C\2)cccc3
(2) InChI: InChI=1/C12H7NOS/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13-10/h1-7H
(3) InChIKey: YKGCCFHSXQHWIG-UHFFFAOYAB