3-(dimethylamino)-2-thienoyl-2-propenenitrile supplier

Name
2-[(DIMETHYLAMINO)METHYLENE]-3-OXO-3-(2-THIENYL)PROPANENITRILE
EINECS
CAS No. 52200-22-3
Article Data2
CAS DataBase
Density 1.209 g/cm³
Solubility
Melting Point 151-153°C
Formula C₁₀H₁₀N₂OS
Boiling Point 409.3 °C at 760 mmHg
Molecular Weight 206.268
Flash Point 201.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(Dimethylamino)-2-(2-thenoyl)acrylonitrile;
PSA 72.34000
LogP 1.89988

3-(dimethylamino)-2-thienoyl-2-propenenitrile Specification

The 2-Thiophenepropanenitrile,a-[(dimethylamino)methylene]-b-oxo-, with CAS registry number 52200-22-3, has the systematic name of (2E)-3-(dimethylamino)-2-(thiophen-2-ylcarbonyl)prop-2-enenitrile. Besides this, it is also called 2-[(Dimethylamino)methylene]-3-oxo-3-(2-thienyl)propanenitrile. And the chemical formula of this chemical is C₁₀H₁₀N₂OS.

Physical properties of 2-Thiophenepropanenitrile,a-[(dimethylamino)methylene]-b-oxo-: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 72.34 Å²; (7)Index of Refraction: 1.579; (8)Molar Refractivity: 56.73 cm³; (9)Molar Volume: 170.5 cm³; (10)Polarizability: 22.49×10^-24cm³; (11)Surface Tension: 49.4 dyne/cm; (12)Density: 1.209 g/cm³; (13)Flash Point: 201.3 °C; (14)Enthalpy of Vaporization: 66.14 kJ/mol; (15)Boiling Point: 409.3 °C at 760 mmHg; (16)Vapour Pressure: 6.57E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(/C#N)=C/N(C)C)c1sccc1
(2)InChI: InChI=1/C10H10N2OS/c1-12(2)7-8(6-11)10(13)9-4-3-5-14-9/h3-5,7H,1-2H3/b8-7+
(3)InChIKey: JQZFGDHPUCKBHT-BQYQJAHWBC
(4)Std. InChI: InChI=1S/C10H10N2OS/c1-12(2)7-8(6-11)10(13)9-4-3-5-14-9/h3-5,7H,1-2H3/b8-7+
(5)Std. InChIKey: JQZFGDHPUCKBHT-BQYQJAHWSA-N

Product Name

2-[(DIMETHYLAMINO)METHYLENE]-3-OXO-3-(2-THIENYL)PROPANENITRILE

3-(dimethylamino)-2-thienoyl-2-propenenitrile Specification

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