2-(Phenylthio)-5-pyrimidinecarbonitrile
TL;DR: 2-(Phenylthio)-5-pyrimidinecarbonitrile (CAS 400082-63-5) is a chemical compound with molecular formula C11H7N3S and molecular weight 213.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanylpyrimidine-5-carbonitrile
Also Known As: 2-(phenylsulfanyl)-5-pyrimidinecarbonitrile, 2-(phenylsulfanyl)pyrimidine-5-carbonitrile, 2-phenylsulfanylpyrimidine-5-carbonitrile, 2-(Phenylthio)-5-pyrimidinecarbonitrile, RefChem:254601
| Molecular Formula | C11H7N3S |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 2.49948 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.03607 |
| Heavy Atoms | 15 |
| Complexity | 473.43625 |
Chemical Identifiers
| CAS Number | 400082-63-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=NC=C(C=N2)C#N |
Product Overview
2-(Phenylthio)-5-pyrimidinecarbonitrile (CAS 400082-63-5), with molecular formula C11H7N3S and molecular weight 213.04 g/mol. IUPAC: 2-phenylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 2-(Phenylthio)-5-pyrimidinecarbonitrile
Property Insights of 2-(Phenylthio)-5-pyrimidinecarbonitrile
The XLogP value of 2.49948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Phenylthio)-5-pyrimidinecarbonitrile. With a topological polar surface area (TPSA) of 49.57 Ų, 2-(Phenylthio)-5-pyrimidinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylthio)-5-pyrimidinecarbonitrile has 0 hydrogen bond donor(s) and 4 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-(Phenylthio)-5-pyrimidinecarbonitrile?
The CAS number of 2-(Phenylthio)-5-pyrimidinecarbonitrile is 400082-63-5.
What is the molecular formula of 2-(Phenylthio)-5-pyrimidinecarbonitrile?
The molecular formula of 2-(Phenylthio)-5-pyrimidinecarbonitrile is C11H7N3S.
What is the molecular weight of 2-(Phenylthio)-5-pyrimidinecarbonitrile?
The molecular weight of 2-(Phenylthio)-5-pyrimidinecarbonitrile is 213.04 g/mol.
Where can I buy 2-(Phenylthio)-5-pyrimidinecarbonitrile?
You can request a quote for 2-(Phenylthio)-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylthio)-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylthio)-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.