2-(2-Pyrimidinylsulfanyl)acetonitrile
TL;DR: 2-(2-Pyrimidinylsulfanyl)acetonitrile (CAS 74537-75-0) is a chemical compound with molecular formula C6H5N3S and molecular weight 151.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrimidin-2-ylsulfanylacetonitrile
Also Known As: 2-(pyrimidin-2-ylsulfanyl)acetonitrile, 2-(2-pyrimidinylsulfanyl)acetonitrile, cyanomethylthiopyrimidine, 2-pyrimidin-2-ylsulfanylacetonitrile, Bionet2_001462
| Molecular Formula | C6H5N3S |
|---|---|
| Molecular Weight | 151.02 g/mol |
| LogP | 1.09228 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.02042 |
| Heavy Atoms | 10 |
| Complexity | 228.49829 |
Chemical Identifiers
| CAS Number | 74537-75-0 |
|---|---|
| SMILES | C1=CN=C(N=C1)SCC#N |
Product Overview
2-(2-Pyrimidinylsulfanyl)acetonitrile (CAS 74537-75-0), with molecular formula C6H5N3S and molecular weight 151.02 g/mol. IUPAC: 2-pyrimidin-2-ylsulfanylacetonitrile.
Chemical Property Profile of 2-(2-Pyrimidinylsulfanyl)acetonitrile
Property Insights of 2-(2-Pyrimidinylsulfanyl)acetonitrile
The XLogP value of 1.09228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Pyrimidinylsulfanyl)acetonitrile. With a topological polar surface area (TPSA) of 49.57 Ų, 2-(2-Pyrimidinylsulfanyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Pyrimidinylsulfanyl)acetonitrile 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-(2-Pyrimidinylsulfanyl)acetonitrile?
The CAS number of 2-(2-Pyrimidinylsulfanyl)acetonitrile is 74537-75-0.
What is the molecular formula of 2-(2-Pyrimidinylsulfanyl)acetonitrile?
The molecular formula of 2-(2-Pyrimidinylsulfanyl)acetonitrile is C6H5N3S.
What is the molecular weight of 2-(2-Pyrimidinylsulfanyl)acetonitrile?
The molecular weight of 2-(2-Pyrimidinylsulfanyl)acetonitrile is 151.02 g/mol.
Where can I buy 2-(2-Pyrimidinylsulfanyl)acetonitrile?
You can request a quote for 2-(2-Pyrimidinylsulfanyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Pyrimidinylsulfanyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Pyrimidinylsulfanyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.