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3-[(2-Aminophenyl)sulfanyl]propanenitrile
TL;DR: 3-[(2-Aminophenyl)sulfanyl]propanenitrile (CAS 4327-52-0) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-aminophenyl)sulfanylpropanenitrile
Also Known As: 3-[(2-aminophenyl)sulfanyl]propanenitrile, 3-[(2-aminophenyl)thio]propanenitrile, 3-(2-aminophenyl)sulfanylpropanenitrile, 3-((2-Aminophenyl)thio)propanenitrile, 2-(2-Cyanoethylthio)aniline
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.27458 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 290.82516 |
Chemical Identifiers
| CAS Number | 4327-52-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SCCC#N |
Product Overview
3-[(2-Aminophenyl)sulfanyl]propanenitrile (CAS 4327-52-0), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: 3-(2-aminophenyl)sulfanylpropanenitrile.
Chemical Property Profile of 3-[(2-Aminophenyl)sulfanyl]propanenitrile
Property Insights of 3-[(2-Aminophenyl)sulfanyl]propanenitrile
The XLogP value of 2.27458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Aminophenyl)sulfanyl]propanenitrile. With a topological polar surface area (TPSA) of 49.81 Ų, 3-[(2-Aminophenyl)sulfanyl]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-Aminophenyl)sulfanyl]propanenitrile 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 3-[(2-Aminophenyl)sulfanyl]propanenitrile?
The CAS number of 3-[(2-Aminophenyl)sulfanyl]propanenitrile is 4327-52-0.
What is the molecular formula of 3-[(2-Aminophenyl)sulfanyl]propanenitrile?
The molecular formula of 3-[(2-Aminophenyl)sulfanyl]propanenitrile is C9H10N2S.
What is the molecular weight of 3-[(2-Aminophenyl)sulfanyl]propanenitrile?
The molecular weight of 3-[(2-Aminophenyl)sulfanyl]propanenitrile is 178.06 g/mol.
Where can I buy 3-[(2-Aminophenyl)sulfanyl]propanenitrile?
You can request a quote for 3-[(2-Aminophenyl)sulfanyl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Aminophenyl)sulfanyl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Aminophenyl)sulfanyl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.