S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate
TL;DR: S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate (CAS 13338-45-9) is a chemical compound with molecular formula C4H8N2O3S2 and molecular weight 195.99763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(sulfosulfanylmethyl)-4,5-dihydro-1H-imidazole
Also Known As: S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate, 2-(sulfosulfanylmethyl)-4,5-dihydro-1H-imidazole, S-[(4,5-Dihydro-1H-imidazol-2-yl)methyl] hydrogen sulfurothioate, Thiosulfuric acid (H2S2O3), S-[(4,5-dihydro-1H-imidazol-2-yl)methyl] ester, NSC 187521
Technical Specifications
| Molecular Formula | C4H8N2O3S2 |
| Molecular Weight | 195.99763 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.99763 Da |
| Heavy Atoms | 11 |
| Complexity | 253.0 |
| SMILES | C1CN=C(N1)CSS(=O)(=O)O |
| InChIKey | MYTKJAFVLNKAOQ-UHFFFAOYSA-N |
Chemical Property Profile of S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate
Property Insights of S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate
The XLogP value of -1.4 indicates that S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate. Following Lipinski's Rule of Five, S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate?
The CAS number of S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate is 13338-45-9.
What is the molecular formula of S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate?
The molecular formula of S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate is C4H8N2O3S2.
What is the molecular weight of S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate?
The molecular weight of S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate is 195.99763 g/mol.
Where can I buy S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate?
You can request a quote for S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate?
Yes, CoreyChem provides custom synthesis services for S-(4,5-Dihydro-1H-imidazol-2-ylmethyl) hydrogen thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.