2-(4,4,5,5-2H4)Imidazolidinethione

Modify Date: 2025-08-30 07:38:20

2-(4,4,5,5-2H4)Imidazolidinethione Structure
2-(4,4,5,5-2H4)Imidazolidinethione structure
Common Name 2-(4,4,5,5-2H4)Imidazolidinethione
CAS Number 352431-28-8 Molecular Weight 106.183
Density 1.3±0.1 g/cm3 Boiling Point 148.3±23.0 °C at 760 mmHg
Molecular Formula C3H2D4N2S Melting Point N/A
MSDS Chinese USA Flash Point 43.5±22.6 °C
Symbol GHS07 GHS08
GHS07, GHS08
Signal Word Danger

 Use of 2-(4,4,5,5-2H4)Imidazolidinethione


Ethylenethiourea-d4 is the deuterium labeled Ethylenethiourea[1]. Ethylenethiourea is a degradation product of the ethylenebisthiocarbamate group of fungicides. Ethylenethiourea is tumorigenic and teratogenic. Ethylenethiourea is orally active[2][3].

 Names

Name 4,4,5,5-tetradeuterioimidazolidine-2-thione
Synonym More Synonyms

 2-(4,4,5,5-2H4)Imidazolidinethione Biological Activity

Description Ethylenethiourea-d4 is the deuterium labeled Ethylenethiourea[1]. Ethylenethiourea is a degradation product of the ethylenebisthiocarbamate group of fungicides. Ethylenethiourea is tumorigenic and teratogenic. Ethylenethiourea is orally active[2][3].
Related Catalog
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

[2]. Khera KS. Ethylenethiourea: teratogenicity study in rats and rabbits. Teratology. 1973 Jun;7(3):243-52.  

[3]. Graham SL, et al. Effects of one-year administration of ethylenethiourea upon the thyroid of the rat. J Agric Food Chem. 1973 May-Jun21(3):324-9.  

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 148.3±23.0 °C at 760 mmHg
Molecular Formula C3H2D4N2S
Molecular Weight 106.183
Flash Point 43.5±22.6 °C
Exact Mass 106.050278
PSA 56.15000
LogP -0.66
Vapour Pressure 4.3±0.3 mmHg at 25°C
Index of Refraction 1.626
InChIKey PDQAZBWRQCGBEV-LNLMKGTHSA-N
SMILES S=C1NCCN1
Storage condition -20°C

 Safety Information

Symbol GHS07 GHS08
GHS07, GHS08
Signal Word Danger
Hazard Statements H302-H351-H360D-H372
Precautionary Statements P201-P301 + P312 + P330-P308 + P313

 Synonyms

2-Imidazolidinethione-4,4,5,5-d
2-Imidazolidinethione-4,5-d4
1,3-Ethylenethiourea-d4
2-Imidazoline-2-thiol-d4
Mercaptoimidazoline-d4
(4,4,5,5-H)Imidazolidine-2-thione
Imidazoline-2-thiol-d4
2-(4,4,5,5-H)Imidazolidinethione
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