Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate
TL;DR: Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate (CAS 63869-14-7) is a chemical compound with molecular formula C48H82N8O13S8 and molecular weight 1234.3767 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tetrakis(1-[(1-amino-2-sulfosulfanylethylidene)amino]adamantane);hydrate
Also Known As: C12H20N2O3S2.1/4H2O, Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate, C12-H20-N2-O3-S2.1/4H2-O, 1-[(1-amino-2-sulfosulfanylethylidene)amino]adamantane hydrate, S-((N-1-Adamantylamidino)methyl) hydrogen thiosulfate, hydrate (4:1)
Technical Specifications
| Molecular Formula | C48H82N8O13S8 |
| Molecular Weight | 1234.3767 g/mol |
| XLogP | 6.57 |
| Topological Polar Surface Area (TPSA) | 507.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 16 |
| Exact Mass | 1234.3767 Da |
| Heavy Atoms | 77 |
| Complexity | 454.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)N=C(CSS(=O)(=O)O)N.C1C2CC3CC1CC(C2)(C3)N=C(CSS(=O)(=O)O)N.C1C2CC3CC1CC(C2)(C3)N=C(CSS(=O)(=O)O)N.C1C2CC3CC1CC(C2)(C3)N=C(CSS(=O)(=O)O)N.O |
| InChIKey | INFKGGOPQPNWRD-UHFFFAOYSA-N |
Chemical Property Profile of Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate
Property Insights of Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate
The XLogP value of 6.57 indicates that Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 507.0 Ų indicates high polarity, suggesting Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate has 9 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate?
The CAS number of Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate is 63869-14-7.
What is the molecular formula of Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate?
The molecular formula of Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate is C48H82N8O13S8.
What is the molecular weight of Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate?
The molecular weight of Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate is 1234.3767 g/mol.
Where can I buy Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate?
You can request a quote for Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate?
Yes, CoreyChem provides custom synthesis services for Methanethiol, (N-1-adamantyl)amidino-, hydrogen sulfate (ester) hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.