(2S)-3-(2-Sulfanyl-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate | CAS No. 497-30-3
(2S)-3-(2-Sulfanyl-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate
Basic Information
CAS Number
497-30-3
Molecular Formula
C9H15N3O2S
Molecular Weight
229.3 g/mol
AD
Basic Physical Properties
Melting Point
290 ºC
Boiling Point
°Cat760mmHg
Solubility
1e+006 mg/L @ 25 °C (est)
Refractive Index
1.6740 (estimate)
Synonyms & References
English
- 1H-Imidazole-4-ethanaminium,a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,inner salt, (aS)-
- L-(+)-Ergothioneine
- Ammonium, [1-carboxy-2-(2-thioxo-4-imidazolin-4-yl)ethyl]trimethyl-, hydroxide, inner salt
- L-()-Ergothioneine
- [(S)-1-Carboxy-2-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-aethyl]-trimethyl-ammonium,Betain
- [(S)-1-carboxy-2-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-ethyl]-trimethyl-ammonium,betaine
- 2-thiol-L-histidine-betaine
- Phytothioneine
- SyMpectothion
- Thiasine
- Thiolhistidine betaine
- thiotaine
- Thiotane
- NSC 7175
- Thioneine
- (S)-
- 2-Mercapto-N,N-dimethylhistidine methyl ester betaine
- 2-Mercaptohistidine betaine
- 2-Mercaptohistidine trimethylbetaine
- Ergothioneine
- L-Ergothioneine(EGT)
- 5-[(2S)-2-carboxy-2-(trimethylazaniumyl)ethyl]-1H-imidazole-2-thiolate
- Sympectothion
MDL Number
MFCD00167474
FAQ
What is (2S)-3-(2-Sulfanyl-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate (CAS: 497-30-3)?
This compound is a zwitterionic organic molecule with the chemical formula C6H12N3O2S. It features a propanoate backbone, an imidazole ring with a sulfanyl (thiol) group at position 2, and a trimethylammonium functional group. It is a solid at room temperature, soluble in water, and exhibits acidic and basic properties due to its ionized structure, making it valuable in chemical research and pharmaceutical applications.
What are the main uses of (2S)-3-(2-Sulfanyl-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate (CAS: 497-30-3)?
This compound is primarily used in pharmaceutical research as a ligand or intermediate for drug development, particularly in targeting biological pathways involving metal ions. It also serves as a precursor in the synthesis of bioactive molecules and may find applications in enzyme inhibition studies. Its unique structure makes it relevant in organic chemistry and medicinal chemistry for functional group manipulation and compound design.
Is (2S)-3-(2-Sulfanyl-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate (CAS: 497-30-3) safe?
This compound is generally considered safe when handled according to standard chemical safety protocols. However, it requires proper protective measures, such as gloves and ventilation, to avoid skin or eye contact. Safety data sheets (SDS) indicate it is not classified as highly toxic, but adherence to safety standards is essential to mitigate potential risks during synthesis or use in laboratory settings.
How should (2S)-3-(2-Sulfanyl-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate (CAS: 497-30-3) be stored?
Store this compound in a cool, dry place (ideally 20°C), away from light and moisture. Use a sealed, airtight container made of glass or plastic to prevent degradation. Maintain humidity below 60% and avoid exposure to air to ensure stability. Keep it in a well-ventilated area and follow general chemical storage guidelines for safe handling and preservation.
Related Compounds
![N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure](https://static.chemtradehub.com/structs/103/103687-96-3-8086.webp "N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure")
N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine
CAS Number:
103687-96-3
Molecular Formula:
C17H19NO5S
![5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure](https://static.chemtradehub.com/structs/112/112897-99-1-d1f4.webp "5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure")
5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine
CAS Number:
112897-99-1
Molecular Formula:
C30H31N3O7
![(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure](https://static.chemtradehub.com/structs/121/121055-10-5-583d.webp "(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure")
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile
CAS Number:
121055-10-5
Molecular Formula:
C17H17NO4
![Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure](https://static.chemtradehub.com/structs/126/1263059-26-2-d6da.webp "Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure")
Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CAS Number:
1263059-26-2
Molecular Formula:
C8H6ClN3O2
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