Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester) (CAS 67226-89-5) is a chemical compound with molecular formula C12H23NO3S2 and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-(2-hydroxysulfonothioyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
Also Known As: 2-(2-Bornylamino)ethanethiol hydrogen sulfate (ester), Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester), (3S)-N-(2-hydroxysulfonothioyloxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-amine, O-{2-[(1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl)amino]ethyl} hydrogen sulfurothioate, O-(2-{[(2S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl]amino}ethyl) hydrogen sulfurothioate
| Molecular Formula | C12H23NO3S2 |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | 1.9417 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.11194 |
| Heavy Atoms | 18 |
| Complexity | 421.03845 |
Chemical Identifiers
| CAS Number | 67226-89-5 |
|---|---|
| SMILES | CC1(C2CCC1([C@H](C2)NCCOS(=O)(=S)O)C)C |
Product Overview
Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester) (CAS 67226-89-5), with molecular formula C12H23NO3S2 and molecular weight 293.11 g/mol. IUPAC: (2S)-N-(2-hydroxysulfonothioyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
Chemical Property Profile of Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester)
The XLogP value of 1.9417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester). With a topological polar surface area (TPSA) of 58.56 Ų, Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester) has 2 hydrogen bond donor(s) and 4 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-bornylamino)-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester) is 67226-89-5.
What is the molecular formula of Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester) is C12H23NO3S2.
What is the molecular weight of Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester) is 293.11 g/mol.
Where can I buy Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-(2-bornylamino)-, 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-bornylamino)-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(2-bornylamino)-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.