![2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile structure](/static/products/900/900640-93-9.png)
2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile
TL;DR: 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile (CAS 900640-93-9) is a chemical compound with molecular formula C10H12N2S and molecular weight 192.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-aminoethylsulfanylmethyl)benzonitrile
Also Known As: 2-(2-aminoethylsulfanylmethyl)benzonitrile, 2-{[(2-AMINOETHYL)SULFANYL]METHYL}BENZONITRILE, Benzonitrile, 2-[[(2-aminoethyl)thio]methyl]-
| Molecular Formula | C10H12N2S |
|---|---|
| Molecular Weight | 192.07 g/mol |
| LogP | 1.75018 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07211 |
| Heavy Atoms | 13 |
| Complexity | 304.0382 |
Chemical Identifiers
| CAS Number | 900640-93-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSCCN)C#N |
Product Overview
2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile (CAS 900640-93-9), with molecular formula C10H12N2S and molecular weight 192.07 g/mol. IUPAC: 2-(2-aminoethylsulfanylmethyl)benzonitrile.
Chemical Property Profile of 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile
Property Insights of 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile
The XLogP value of 1.75018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile. With a topological polar surface area (TPSA) of 49.81 Ų, 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile has 1 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 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile?
The CAS number of 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile is 900640-93-9.
What is the molecular formula of 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile?
The molecular formula of 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile is C10H12N2S.
What is the molecular weight of 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile?
The molecular weight of 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile is 192.07 g/mol.
Where can I buy 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile?
You can request a quote for 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2-Aminoethyl)sulfanyl]methyl}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.