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CAS No.: | 1090-78-4 |
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Name: | 2-DIMETHYL AMINO SULFONYL PHENTHIAZINE |
Molecular Structure: | |
Formula: | C14H14N2O2S2 |
Molecular Weight: | 306.409 |
Synonyms: | N,N-dimethylphenothiazine-2-sulfonamide;EINECS 214-128-1;2-Dimethylaminosulfonylphenthiazine;2-dimethylaminosulfonyl phenothiazine;10H-phenothiazine-2-sulfonic acid dimethylamide; |
EINECS: | 214-128-1 |
Density: | 1.349 g/cm3 |
Boiling Point: | 497.264 °C at 760 mmHg |
Flash Point: | 254.536 °C |
PSA: | 83.09000 |
LogP: | 4.36390 |
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The 2-Dimethylaminosulfonylphenthiazine is an organic compound with the formula C14H14N2O2S2. The IUPAC name of this chemical is N,N-dimethyl-10H-phenothiazine-2-sulfonamide. With the CAS registry number 1090-78-4, it is also named as 10H-phenothiazine-2-sulfonamide, N,N-dimethyl-.
Physical properties about 2-Dimethylaminosulfonylphenthiazine are: (1)ACD/LogP: 3.04; (2)ACD/LogD (pH 5.5): 3.04; (3)ACD/LogD (pH 7.4): 3.04; (4)ACD/BCF (pH 5.5): 120.7; (5)ACD/BCF (pH 7.4): 120.7; (6)ACD/KOC (pH 5.5): 1075.71; (7)ACD/KOC (pH 7.4): 1075.71; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 74.3 Å2; (12)Index of Refraction: 1.651; (13)Molar Refractivity: 83.02 cm3; (14)Molar Volume: 227.1 cm3; (15)Polarizability: 32.91×10-24cm3; (16)Surface Tension: 51.8 dyne/cm; (17)Density: 1.349 g/cm3; (18)Flash Point: 254.5 °C; (19)Enthalpy of Vaporization: 76.52 kJ/mol; (20)Boiling Point: 497.3 °C at 760 mmHg; (21)Vapour Pressure: 5.03E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N(C)C)c2cc1Nc3c(Sc1cc2)cccc3
(2)InChI: InChI=1/C14H14N2O2S2/c1-16(2)20(17,18)10-7-8-14-12(9-10)15-11-5-3-4-6-13(11)19-14/h3-9,15H,1-2H3
(3)InChIKey: KMMXCCWCGOUAGH-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C14H14N2O2S2/c1-16(2)20(17,18)10-7-8-14-12(9-10)15-11-5-3-4-6-13(11)19-14/h3-9,15H,1-2H3
(5)Std. InChIKey: KMMXCCWCGOUAGH-UHFFFAOYSA-N