Acetonitrile, (purin-6-ylthio)-
TL;DR: Acetonitrile, (purin-6-ylthio)- (CAS 5443-91-4) is a chemical compound with molecular formula C7H5N5S and molecular weight 191.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7H-purin-6-ylsulfanyl)acetonitrile
Also Known As: 6-Cyanomethyl MP, (Purin-6-ylthio)acetonitrile, (Purine-6-yl-thio)acetonitrile, 2-((7H-Purin-6-yl)thio)acetonitrile, ACETONITRILE, (PURIN-6-YLTHIO)-
| Molecular Formula | C7H5N5S |
|---|---|
| Molecular Weight | 191.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.02657 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 5443-91-4 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=NC=N2)SCC#N |
| InChIKey | YPTKQMBEDCVGLW-UHFFFAOYSA-N |
Product Overview
Acetonitrile, (purin-6-ylthio)- (CAS 5443-91-4), with molecular formula C7H5N5S and molecular weight 191.03 g/mol. IUPAC: 2-(7H-purin-6-ylsulfanyl)acetonitrile.
Chemical Property Profile of Acetonitrile, (purin-6-ylthio)-
Property Insights of Acetonitrile, (purin-6-ylthio)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, (purin-6-ylthio)-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetonitrile, (purin-6-ylthio)-. Following Lipinski's Rule of Five, Acetonitrile, (purin-6-ylthio)- has 1 hydrogen bond donor(s) and 5 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 Acetonitrile, (purin-6-ylthio)-?
The CAS number of Acetonitrile, (purin-6-ylthio)- is 5443-91-4.
What is the molecular formula of Acetonitrile, (purin-6-ylthio)-?
The molecular formula of Acetonitrile, (purin-6-ylthio)- is C7H5N5S.
What is the molecular weight of Acetonitrile, (purin-6-ylthio)-?
The molecular weight of Acetonitrile, (purin-6-ylthio)- is 191.03 g/mol.
Where can I buy Acetonitrile, (purin-6-ylthio)-?
You can request a quote for Acetonitrile, (purin-6-ylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, (purin-6-ylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, (purin-6-ylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.