2-Propen-1-one,3-(dimethylamino)-1-(2-thienyl)- supplier

Name
(E)-3-DIMETHYLAMINO-1-THIOPHEN-2-YL-PROPENONE
EINECS
CAS No. 34772-98-0
Article Data78
CAS DataBase
Density 1.126 g/cm³
Solubility
Melting Point 197-198℃ (1,4-dioxane )
Formula C₉H₁₁NOS
Boiling Point 265.8 °C at 760 mmHg
Molecular Weight 181.258
Flash Point 114.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 48.55000
LogP 1.84950

2-Propen-1-one,3-(dimethylamino)-1-(2-thienyl)- Specification

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

Product Name

(E)-3-DIMETHYLAMINO-1-THIOPHEN-2-YL-PROPENONE

2-Propen-1-one,3-(dimethylamino)-1-(2-thienyl)- Specification

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