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CAS No.: | 34772-98-0 |
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Name: | (E)-3-DIMETHYLAMINO-1-THIOPHEN-2-YL-PROPENONE |
Article Data: | 78 |
Molecular Structure: | |
Formula: | C9H11NOS |
Molecular Weight: | 181.258 |
Synonyms: | 1-(2-Thienyl)-3-(dimethylamino)-2-propen-1-one;3-(Dimethylamino)-1-(2-thienyl)-2-propen-1-one;3-Dimethylamino-1-(thiophen-2-yl)propenone; |
Density: | 1.126 g/cm3 |
Melting Point: | 197-198℃ (1,4-dioxane ) |
Boiling Point: | 265.8 °C at 760 mmHg |
Flash Point: | 114.6 °C |
PSA: | 48.55000 |
LogP: | 1.84950 |
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This chemical is called 2-Propen-1-one,3-(dimethylamino)-1-(2-thienyl)-, and its systematic name is 3-(dimethylamino)-1-(thiophen-2-yl)prop-2-en-1-one. With the molecular formula of C9H11NOS, its molecular weight is 181.25. The CAS registry number of this chemical is 34772-98-0.
Other characteristics of the 2-Propen-1-one,3-(dimethylamino)-1-(2-thienyl)- can be summarised as followings: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 2.31; (6)ACD/BCF (pH 7.4): 17.18; (7)ACD/KOC (pH 5.5): 34.86; (8)ACD/KOC (pH 7.4): 259.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48.55 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 52.34 cm3; (15)Molar Volume: 160.8 cm3; (16)Polarizability: 20.75×10-24cm3; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.126 g/cm3; (19)Flash Point: 114.6 °C; (20)Enthalpy of Vaporization: 50.38 kJ/mol; (21)Boiling Point: 265.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00895 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(C=CN(C)C)c1sccc1
2.InChI: InChI=1/C9H11NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-7H,1-2H3
3.InChIKey: NXYSVZGMDFMOJJ-UHFFFAOYAB