![3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]- structure](/static/products/894/89407-37-4.png)
3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-
TL;DR: 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]- (CAS 89407-37-4) is a chemical compound with molecular formula C13H10N2S and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanylpyridine-3-carbonitrile
Also Known As: 2-benzylthio-3cyano-pyridine, 2-(Benzylthio)nicotinonitrile, 2-Benzylsulfanyl-nicotinonitrile, 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-, 2-(benzylsulfanyl)pyridine-3-carbonitrile
| Molecular Formula | C13H10N2S |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.05647 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 89407-37-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C=CC=N2)C#N |
| InChIKey | XMKZNELJNRWNDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]- (CAS 89407-37-4), with molecular formula C13H10N2S and molecular weight 226.06 g/mol. IUPAC: 2-benzylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-
Property Insights of 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-. Following Lipinski's Rule of Five, 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]- has 0 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-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-?
The CAS number of 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]- is 89407-37-4.
What is the molecular formula of 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-?
The molecular formula of 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]- is C13H10N2S.
What is the molecular weight of 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-?
The molecular weight of 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]- is 226.06 g/mol.
Where can I buy 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-?
You can request a quote for 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.