Hot Products

Basic Information

Post buying leads

Suppliers

Cas Database

Name	1H-Imidazole-4-ethanaminium,a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,inner salt, (aS)-	EINECS	207-843-5
CAS No.	497-30-3	Density	1.2541 (rough estimate)
PSA	100.97000	LogP	0.77420
Solubility	N/A	Melting Point	275-277 °C (dec.)
Formula	C₉H₁₅N₃O₂S	Boiling Point	N/A
Molecular Weight	229.303	Flash Point	N/A
Transport Information	N/A	Appearance	White solid
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	1H-Imidazole-4-ethanaminium,a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,hydroxide, inner salt, (S)-;Ammonium,[1-carboxy-2-(2-mercaptoimidazol-4-yl)ethyl]trimethyl-, hydroxide, inner salt,L-(+)- (8CI);1H-Imidazole-4-ethanaminium, a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-, innersalt, (S)-;2-Mercapto-N,N-dimethylhistidine methyl ester betaine;2-Mercaptohistidine betaine;2-Mercaptohistidine trimethylbetaine;Ergothioneine;	Article Data	15

1H-Imidazole-4-ethanaminium,a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,inner salt, (aS)- Synthetic route

: potassium thiocyanate

: C8H16N2O3

: 497-30-3
ergothioneine

Conditions

Conditions	Yield
Stage #1: potassium thiocyanate; C8H16N2O3 In water at 85 - 90℃; Stage #2: With hydrogenchloride In ethanol; water at 30℃; Reagent/catalyst;	1.1 g

: 497-30-3
ergothioneine

: 33605-54-8
L-ergothioneine disulfide

Conditions

Conditions	Yield
With formic acid; copper(II) sulfate at 25℃; for 0.5h;

1H-Imidazole-4-ethanaminium,a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,inner salt, (aS)- Specification

The CAS register number of 1H-Imidazole-4-ethanaminium,a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,inner salt, (aS)- is 497-30-3. It also can be called as 2-Mercaptohistidine trimethylbetaine and the IUPAC name about this chemical is 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate. The molecular formula about this chemical is C₉H₁₅N₃O₂S and the molecular weight is 229.30. It belongs to the following product categories which include Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds and so on. This chemical is a natural molecule isolated from the rye ergot fungus and later identified in rat erythrocytes and liver and in numerous other animal tissues. Its antioxidizing properties may afford the compound therapeutic potential.

Physical properties about 1H-Imidazole-4-ethanaminium,a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,inner salt, (aS)- are: (1)ACD/LogP: -3.07; (2)ACD/LogD (pH 5.5): -2.47; (3)ACD/LogD (pH 7.4): -2.47; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.03; (7)ACD/KOC (pH 7.4): 2.03; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 75.87 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1N\C(=C/N1)C[C@@H](C([O-])=O)[N+](C)(C)C
(2)InChI: InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1
(3)InChIKey: SSISHJJTAXXQAX-ZETCQYMHBA
(4)Std. InChI: InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1
(5)Std. InChIKey: SSISHJJTAXXQAX-ZETCQYMHSA-N

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 497-30-3