Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester) (CAS 37018-32-9) is a chemical compound with molecular formula C12H21NO3S2 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-sulfosulfanylethylamino)adamantane
Also Known As: 2-(2-sulfosulfanylethylamino)adamantane, 2-(2-Adamantylamino)ethanethiol hydrogen sulfate (ester), Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester), Thiosulfuric acid, S-(2-(tricyclo(3.3.1.1(sup 3,7))dec-2-ylamino)ethyl) ester, S-{2-[(Adamantan-2-yl)amino]ethyl} hydrogen sulfurothioate
| Molecular Formula | C12H21NO3S2 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.09628 |
| Heavy Atoms | 18 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 37018-32-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3NCCSS(=O)(=O)O |
| InChIKey | KQSCFSFNCZTFMB-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester) (CAS 37018-32-9), with molecular formula C12H21NO3S2 and molecular weight 291.10 g/mol. IUPAC: 2-(2-sulfosulfanylethylamino)adamantane.
Chemical Property Profile of Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester)
The XLogP value of -0.8 indicates that Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester) 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
Frequently Asked Questions
What is the CAS number of Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester) is 37018-32-9.
What is the molecular formula of Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester) is C12H21NO3S2.
What is the molecular weight of Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester) is 291.10 g/mol.
Where can I buy Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.