Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride
TL;DR: Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride (CAS 23545-70-2) is a chemical compound with molecular formula C7H15ClN2S and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methyl-1-sulfanylpropan-2-yl)amino]propanenitrile;hydrochloride
Also Known As: 2-((2-Cyanoethyl)amino)-2-methylpropanethiol hydrochloride, Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride, 3-[(2-methyl-1-sulfanylpropan-2-yl)amino]propanenitrile hydrochloride, 3-[(2-methyl-1-sulfanylpropan-2-yl)amino]propanenitrile hydrochloride(1:1), Propionitrile, 3-[(2-mercapto-1,1-dimethylethyl)amino]-, monohydrochloride
| Molecular Formula | C7H15ClN2S |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.62 |
| Topological Polar Surface Area | 36.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.06445 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 23545-70-2 |
|---|---|
| SMILES | CC(C)(CS)NCCC#N.Cl |
| InChIKey | SXBBEBWJKCVUGH-UHFFFAOYSA-N |
Product Overview
Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride (CAS 23545-70-2), with molecular formula C7H15ClN2S and molecular weight 194.06 g/mol. IUPAC: 3-[(2-methyl-1-sulfanylpropan-2-yl)amino]propanenitrile;hydrochloride.
Chemical Property Profile of Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride
Property Insights of Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride
The XLogP value of 1.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride. With a topological polar surface area (TPSA) of 36.8 Ų, Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride has 3 hydrogen bond donor(s) and 3 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 Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride?
The CAS number of Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride is 23545-70-2.
What is the molecular formula of Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride?
The molecular formula of Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride is C7H15ClN2S.
What is the molecular weight of Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride?
The molecular weight of Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride is 194.06 g/mol.
Where can I buy Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride?
You can request a quote for Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Propanethiol, 2-((2-cyanoethyl)amino)-2-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.