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| CAS No.: | 25244-68-2 |
|---|---|
| Name: | PHENOTHIAZINE-10-ACETIC ACID |
| Molecular Structure: | |
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| Formula: | C14H11NO2S |
| Molecular Weight: | 257.313 |
| Synonyms: | Phenothiazine-10-aceticacid (6CI,8CI);Phenothiazine-9-acetic acid;10H-Phenothiazin-10-ylacetic acid;10H-phenothiazine-10-acetic acid;2-(10H-phenothiazin-10-yl)acetic acid; |
| Density: | 1.362 g/cm3 |
| Boiling Point: | 464.7 °C at 760 mmHg |
| Flash Point: | 234.9 °C |
| PSA: | 65.84000 |
| LogP: | 3.43890 |
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Specification
The 10H-Phenothiazine-10-aceticacid, with the CAS registry number 25244-68-2, is also called 10H-Phenothiazin-10-ylacetic acid. It belongs to the product category of Pharmacetical, and the molecular formula of this chemical is C14H11NO2S.
The physical properties of 10H-Phenothiazine-10-aceticacid are as following: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 4.93; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.85; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.84 Å2; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 71.8 cm3; (15)Molar Volume: 188.8 cm3; (16)Polarizability: 28.46×10-24cm3; (17)Surface Tension: 59.9 dyne/cm; (18)Density: 1.362 g/cm3; (19)Flash Point: 234.9 °C; (20)Enthalpy of Vaporization: 76.51 kJ/mol; (21)Boiling Point: 464.7 °C at 760 mmHg; (22)Vapour Pressure: 1.95E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN1c3c(Sc2c1cccc2)cccc3
(2)InChI: InChI=1/C14H11NO2S/c16-14(17)9-15-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)15/h1-8H,9H2,(H,16,17)
(3)InChIKey: QUJVFIOYSMVYGY-UHFFFAOYAH