Cyclopentanecarbonitrile, 1-(phenylthio)-
TL;DR: Cyclopentanecarbonitrile, 1-(phenylthio)- (CAS 41287-82-5) is a chemical compound with molecular formula C12H13NS and molecular weight 203.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylsulfanylcyclopentane-1-carbonitrile
Also Known As: 1-(Phenylthio)cyclopentanecarbonitrile, 1-(phenylsulfanyl)cyclopentanecarbonitrile, Cyclopentanecarbonitrile, 1-(phenylthio)-, 1-phenylsulfanylcyclopentane-1-carbonitrile, 1-(PHENYLSULFANYL)CYCLOPENTANE-1-CARBONITRILE
| Molecular Formula | C12H13NS |
|---|---|
| Molecular Weight | 203.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.07687 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 41287-82-5 |
|---|---|
| SMILES | C1CCC(C1)(C#N)SC2=CC=CC=C2 |
| InChIKey | HKQLCKBRPRLZLY-UHFFFAOYSA-N |
Product Overview
Cyclopentanecarbonitrile, 1-(phenylthio)- (CAS 41287-82-5), with molecular formula C12H13NS and molecular weight 203.08 g/mol. IUPAC: 1-phenylsulfanylcyclopentane-1-carbonitrile.
Chemical Property Profile of Cyclopentanecarbonitrile, 1-(phenylthio)-
Property Insights of Cyclopentanecarbonitrile, 1-(phenylthio)-
The XLogP value of 3.3 indicates that Cyclopentanecarbonitrile, 1-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, Cyclopentanecarbonitrile, 1-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentanecarbonitrile, 1-(phenylthio)- has 0 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 Cyclopentanecarbonitrile, 1-(phenylthio)-?
The CAS number of Cyclopentanecarbonitrile, 1-(phenylthio)- is 41287-82-5.
What is the molecular formula of Cyclopentanecarbonitrile, 1-(phenylthio)-?
The molecular formula of Cyclopentanecarbonitrile, 1-(phenylthio)- is C12H13NS.
What is the molecular weight of Cyclopentanecarbonitrile, 1-(phenylthio)-?
The molecular weight of Cyclopentanecarbonitrile, 1-(phenylthio)- is 203.08 g/mol.
Where can I buy Cyclopentanecarbonitrile, 1-(phenylthio)-?
You can request a quote for Cyclopentanecarbonitrile, 1-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentanecarbonitrile, 1-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanecarbonitrile, 1-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.