4-Imidazolidinone,5-[[4-(diethylamino)phenyl]methylene]-2-thioxo- supplier

Name
5-(4-DIETHYLAMINO-BENZYLIDENE)-2-THIOXO-IMIDAZOLIDIN-4-ONE
EINECS
CAS No. 51009-65-5
Density 1.25 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₇N₃OS
Boiling Point
Molecular Weight 275.374
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (5E)-5-[4-(Diethylamino)benzylidene]-2-thioxoimidazolidin-4-one;
PSA 86.99000
LogP 2.00080

4-Imidazolidinone,5-[[4-(diethylamino)phenyl]methylene]-2-thioxo- Specification

The 4-Imidazolidinone,5-[[4-(diethylamino)phenyl]methylene]-2-thioxo-, with the CAS registry number 51009-65-5, is also known as (5E)-5-[4-(Diethylamino)benzylidene]-2-thioxoimidazolidin-4-one. This chemical's molecular formula is C₁₄H₁₇N₃OS and molecular weight is 275.3693. What's more, its IUPAC name is (5E)-5-[[4-(Diethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one.

Physical properties about 4-Imidazolidinone,5-[[4-(diethylamino)phenyl]methylene]-2-thioxo- are: (1)ACD/LogP: 3.83; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.82; (5)ACD/BCF (pH 5.5): 362.26; (6)ACD/BCF (pH 7.4): 473.04; (7)ACD/KOC (pH 5.5): 2180.66; (8)ACD/KOC (pH 7.4): 2847.53; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.88 Å²; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 79.84 cm³; (15)Molar Volume: 219.4 cm³; (16)Polarizability: 31.65×10^-24cm³; (17)Surface Tension: 60.2 dyne/cm; (18)Density: 1.25 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2/C(=C\c1ccc(N(CC)CC)cc1)NC(=S)N2
(2) InChI: InChI=1/C14H17N3OS/c1-3-17(4-2)11-7-5-10(6-8-11)9-12-13(18)16-14(19)15-12/h5-9H,3-4H2,1-2H3,(H2,15,16,18,19)/b12-9+InChI=1/C14H17N3OS/c1-3-17(4-2)11-7-5-10(6-8-11)9-12-13(18)16-14(19)15-12/h5-9H,3-4H2,1-2H3,(H2,15,16,18,19)/b12-9+
(3) InChIKey: RHTNYOJDJNSDCD-FMIVXFBMBN

Product Name

5-(4-DIETHYLAMINO-BENZYLIDENE)-2-THIOXO-IMIDAZOLIDIN-4-ONE

4-Imidazolidinone,5-[[4-(diethylamino)phenyl]methylene]-2-thioxo- Specification

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