4-Imidazolidinone,5-phenyl-2-thioxo- supplier

Name
5-phenyl-2-thioxo-4-iMidazolidinone
EINECS
CAS No. 62420-76-2
Article Data5
CAS DataBase
Density 1.38 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂OS
Boiling Point
Molecular Weight 192.241
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Phenyl-2-thiohydantoin;
PSA
LogP

4-Imidazolidinone,5-phenyl-2-thioxo- Specification

The 4-Imidazolidinone,5-phenyl-2-thioxo-, with the CAS registry number of 62420-76-2, is also known as 5-Phenyl-2-thiohydantoin. Its molecular formula is C₉H₈N₂OS and molecular weight is 192.2376. What's more, its systematic name is 5-Phenyl-2-thioxoimidazolidin-4-one.

Physical properties about the 4-Imidazolidinone,5-phenyl-2-thioxo- are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.54; (6)ACD/BCF (pH 7.4): 4.04; (7)ACD/KOC (pH 5.5): 102.72; (8)ACD/KOC (pH 7.4): 91.52; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.64 Å²; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 53.1 cm³; (15)Molar Volume: 139.1 cm³; (16)Surface Tension: 68.6 dyne/cm; (17)Density: 1.38 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C2NC(c1ccccc1)C(=O)N2
(2) InChI: InChI=1/C9H8N2OS/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13)
(3) InChIKey: CCYQZZAKDLYLFP-UHFFFAOYAK

Product Name

5-phenyl-2-thioxo-4-iMidazolidinone

4-Imidazolidinone,5-phenyl-2-thioxo- Specification

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