5-Methyl-2-thioxo-4-imidazolidinone supplier

Name
4-Imidazolidinone,5-methyl-2-thioxo-(9CI)
EINECS
CAS No. 33368-94-4
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₄H₆N₂OS
Boiling Point
Molecular Weight 130.17
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hydantoin,5-methyl-2-thio- (6CI,7CI,8CI);5-Methyl-2-thiohydantoin;5-methyl-2-thioxoimidazolidin-4-one;4-imidazolidinone, 5-methyl-2-thioxo-;5-Methyl-2-thioguidanthion;Hydantoin, 5-methyl-2-thio-;5-methyl-2-sulfanylideneimidazolidin-4-one;
PSA 83.75000
LogP -0.49800

5-Methyl-2-thioxo-4-imidazolidinone Specification

The 5-Methyl-2-thioxo-4-imidazolidinone, with the CAS registry number 33368-94-4, has the systematic name of 5-methyl-2-thioxoimidazolidin-4-one. It belongs to the product category of Thiol. And the molecular formula of the chemical is C₄H₆N₂OS.

The characteristics of 5-Methyl-2-thioxo-4-imidazolidinone are as followings: (1)ACD/LogP: -0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.12; (4)ACD/LogD (pH 7.4): -0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.4; (8)ACD/KOC (pH 7.4): 19.7; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 55.64 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 33.02 cm³; (15)Molar Volume: 94.7 cm³; (16)Polarizability: 13.09×10^-24cm³; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.37 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1NC(=S)NC1C
(2)InChI: InChI=1/C4H6N2OS/c1-2-3(7)6-4(8)5-2/h2H,1H3,(H2,5,6,7,8)
(3)InChIKey: HYDZMARBTYAIMU-UHFFFAOYAH

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	420mg/kg (420mg/kg)		Farmatsevtichnii Zhurnal Vol. 17(1), Pg. 36, 1962.
rat	LD50	oral	1050mg/kg (1050mg/kg)		British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 350, 1958.

Product Name

4-Imidazolidinone,5-methyl-2-thioxo-(9CI)

5-Methyl-2-thioxo-4-imidazolidinone Specification

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