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| CAS No.: | 155-91-9 |
|---|---|
| Name: | Sulfadimethoxypyrimidine |
| Molecular Structure: | |
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| Formula: | C12H14N4O4S |
| Molecular Weight: | 310.334 |
| Synonyms: | NSC 8560;Sulfadimethoxypyrimidine;Sulfamoprine;Sulfanilamide,N1-(4,6-dimethoxy-2-pyrimidinyl)- (7CI,8CI);Sulfanilamide,N1-(4,6-dimethoxy-2-pyrimidyl)- (4CI);ICI 3435;Benzenesulfonamide, 4-amino-N-(4,6-dimethoxy-2-pyrimidinyl)-;N1-(4,6-Dimethoxypyrimidin-2-yl)sulphanilamide;Sulfanilamide, N1-(4,6-dimethoxy-2-pyrimidinyl)- (8CI);N(sup 1)-(4,6-Dimethoxypyrimidin-2-yl)sulfanilamide;Sulfanilamide, N(sup 1)-(4,6-dimethoxy-2-pyrimidinyl)-;2-p-Aminobenzenesulphonamido-4,6-dimethoxypyrimidine;2-Sulfanilamide 4-6-dimethoxy-pyrimidine;4-Amino-N-(4,6-dimethoxy-2-pyrimidinyl)benzenesulfonamide; |
| EINECS: | 204-523-7 |
| Density: | 1.441 g/cm3 |
| Melting Point: | 200oC |
| Boiling Point: | 570.679 °C at 760 mmHg |
| Flash Point: | 298.936 °C |
| Appearance: | yellow to straw yellow powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | R36/37/38; R43 |
| PSA: | 124.81000 |
| LogP: | 2.61180 |
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- Total:37 Page 1 of 1 1
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Specification
The CAS registry number of Sulfadimethoxypyrimidine is 155-91-9. The IUPAC name of this chemical is 4-amino-N-(4,6-dimethoxypyrimidin-2-yl)benzenesulfonamide. It is also called Benzenesulfonamide,4-amino-N-(4,6-dimethoxy-2-pyrimidinyl)-. In addition, the formula is C12H14N4O4S and the molecular weight is 310.32896.
Physical properties about Sulfadimethoxypyrimidine are: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.42; (4)ACD/LogD (pH 7.4): -0.88; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.97; (8)ACD/KOC (pH 7.4): 4.79; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 93.24 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 75.87 cm3; (15)Molar Volume: 215.2 cm3; (16)Polarizability: 30.07 ×10-24cm3; (17)Surface Tension: 69.5 dyne/cm; (18)Density: 1.441 g/cm3; (19)Flash Point: 298.9 °C; (20)Enthalpy of Vaporization: 85.59 kJ/mol; (21)Boiling Point: 570.7 °C at 760 mmHg; (22)Vapour Pressure: 4.92E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1nc(OC)cc(OC)n1)c2ccc(N)cc2
(2)InChI: InChI=1/C12H14N4O4S/c1-19-10-7-11(20-2)15-12(14-10)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
(3)InChIKey: RMSFTZDTJHYIFE-UHFFFAOYAO