(alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid
TL;DR: (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid (CAS 2002-22-4) is a chemical compound with molecular formula C6H9N3O2S and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid
Also Known As: 2-Mercapto-L-histidine, Thiohistidine, L-Thiolhistidine, L-Thiohistidine, 2-Thiolhistidine
| Molecular Formula | C6H9N3O2S |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | 0.02669 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.04155 |
| Heavy Atoms | 12 |
| Complexity | 329.53424 |
Chemical Identifiers
| CAS Number | 2002-22-4 |
|---|---|
| SMILES | C1=C(NC(=S)N1)C[C@@H](C(=O)O)N |
Product Overview
(alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid (CAS 2002-22-4), with molecular formula C6H9N3O2S and molecular weight 187.04 g/mol. IUPAC: (2S)-2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid.
Chemical Property Profile of (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid
Property Insights of (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid
The XLogP value of 0.02669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid. Following Lipinski's Rule of Five, (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid has 4 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid?
The CAS number of (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid is 2002-22-4.
What is the molecular formula of (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid?
The molecular formula of (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid is C6H9N3O2S.
What is the molecular weight of (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid?
The molecular weight of (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid is 187.04 g/mol.
Where can I buy (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid?
You can request a quote for (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (alphaS)-alpha-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.