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497-30-3,MFCD00167474
Catalog No.:AA003R3W

497-30-3 | (S)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥98%
in stock  
$89.00   $62.00
- +
50mg
≥98%
in stock  
$97.00   $68.00
- +
100mg
in stock  
$181.00   $127.00
- +
250mg
≥98%
in stock  
$190.00   $133.00
- +
1g
≥98%
in stock  
$454.00   $318.00
- +
5g
≥98%
in stock  
$1,643.00   $1,150.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003R3W
Chemical Name:
(S)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate
CAS Number:
497-30-3
Molecular Formula:
C9H15N3O2S
Molecular Weight:
229.2993
MDL Number:
MFCD00167474
SMILES:
[O-]C(=O)[C@@H]([N+](C)(C)C)Cc1c[nH]c(=S)[nH]1
Properties
Properties
 
Form:
Solid  
MP:
275-277°C (dec.)  
Refractive Index:
1.6740 (estimate)  
Storage:
Keep in dry area;-20 ℃;  

Computed Properties
 
Complexity:
314  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.3  

Downstream Synthesis Route

[1]JournalofAgriculturalandFoodChemistry,2007,vol.55,p.6466-6474

potassiumthiocyanate 
 
C8H16N2O3 
  497-30-3 

[1]Patent:US9428463,2016,B1.Locationinpatent:Page/Pagecolumn22

Literature

Title: Oumari M, et al. Regeneration of ergothioneine after reaction with singlet oxygen. Free Radic Biol Med. 2019 Apr;134:498-504.

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SDS
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Tags:497-30-3 Molecular Formula|497-30-3 MDL|497-30-3 SMILES|497-30-3 (S)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate
Catalog No.: AA003R3W
497-30-3,MFCD00167474
497-30-3 | (S)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate
Pack Size： 5mg
Purity： ≥98%
in stock
$89.00 $62.00
Pack Size： 50mg
Purity： ≥98%
in stock
$97.00 $68.00
Pack Size： 100mg
Purity：
in stock
$181.00 $127.00
Pack Size： 250mg
Purity： ≥98%
in stock
$190.00 $133.00
Pack Size： 1g
Purity： ≥98%
in stock
$454.00 $318.00
Pack Size： 5g
Purity： ≥98%
in stock
$1,643.00 $1,150.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003R3W
Chemical Name: (S)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate
CAS Number: 497-30-3
Molecular Formula: C9H15N3O2S
Molecular Weight: 229.2993
MDL Number: MFCD00167474
SMILES: [O-]C(=O)[C@@H]([N+](C)(C)C)Cc1c[nH]c(=S)[nH]1
Properties
Form: Solid  
MP: 275-277°C (dec.)  
Refractive Index: 1.6740 (estimate)  
Storage: Keep in dry area;-20 ℃;  
Complexity: 314  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.3  
Downstream Synthesis Route
497-30-3    33605-54-8 

[1]JournalofAgriculturalandFoodChemistry,2007,vol.55,p.6466-6474

potassiumthiocyanate 
 
C8H16N2O3 
  497-30-3 

[1]Patent:US9428463,2016,B1.Locationinpatent:Page/Pagecolumn22

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