Ethanethiol, 2-(3-phenylprop-2-ynylamino)-
TL;DR: Ethanethiol, 2-(3-phenylprop-2-ynylamino)- (CAS 75606-33-6) is a chemical compound with molecular formula C11H13NS and molecular weight 191.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-phenylprop-2-ynylamino)ethanethiol
Also Known As: 2-(3-Phenylprop-2-ynylamino)ethanethiol, Ethanethiol, 2-(3-phenylprop-2-ynylamino)-, 2-(3-Phenyl-2-propynylamino)ethanethiol, 2-[(3-phenylprop-2-yn-1-yl)amino]ethane-1-thiol, BRN 5505413
| Molecular Formula | C11H13NS |
|---|---|
| Molecular Weight | 191.08 g/mol |
| LogP | 1.5575 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.07687 |
| Heavy Atoms | 13 |
| Complexity | 283.95374 |
Chemical Identifiers
| CAS Number | 75606-33-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CCNCCS |
Product Overview
Ethanethiol, 2-(3-phenylprop-2-ynylamino)- (CAS 75606-33-6), with molecular formula C11H13NS and molecular weight 191.08 g/mol. IUPAC: 2-(3-phenylprop-2-ynylamino)ethanethiol.
Chemical Property Profile of Ethanethiol, 2-(3-phenylprop-2-ynylamino)-
Property Insights of Ethanethiol, 2-(3-phenylprop-2-ynylamino)-
The XLogP value of 1.5575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethiol, 2-(3-phenylprop-2-ynylamino)-. With a topological polar surface area (TPSA) of 12.03 Ų, Ethanethiol, 2-(3-phenylprop-2-ynylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethiol, 2-(3-phenylprop-2-ynylamino)- has 2 hydrogen bond donor(s) and 2 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-(3-phenylprop-2-ynylamino)-?
The CAS number of Ethanethiol, 2-(3-phenylprop-2-ynylamino)- is 75606-33-6.
What is the molecular formula of Ethanethiol, 2-(3-phenylprop-2-ynylamino)-?
The molecular formula of Ethanethiol, 2-(3-phenylprop-2-ynylamino)- is C11H13NS.
What is the molecular weight of Ethanethiol, 2-(3-phenylprop-2-ynylamino)-?
The molecular weight of Ethanethiol, 2-(3-phenylprop-2-ynylamino)- is 191.08 g/mol.
Where can I buy Ethanethiol, 2-(3-phenylprop-2-ynylamino)-?
You can request a quote for Ethanethiol, 2-(3-phenylprop-2-ynylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethiol, 2-(3-phenylprop-2-ynylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(3-phenylprop-2-ynylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.