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

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Name

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

EINECS N/A
CAS No. 51009-65-5 Density 1.25 g/cm3
PSA 86.99000 LogP 2.00080
Solubility N/A Melting Point N/A
Formula C14H17N3OS Boiling Point N/A
Molecular Weight 275.374 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 51009-65-5 (5-(4-DIETHYLAMINO-BENZYLIDENE)-2-THIOXO-IMIDAZOLIDIN-4-ONE) Hazard Symbols N/A
Synonyms

(5E)-5-[4-(Diethylamino)benzylidene]-2-thioxoimidazolidin-4-one;

 

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

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