Pyrimidin-2-yl thiocyanate
TL;DR: Pyrimidin-2-yl thiocyanate (CAS 89283-87-4) is a chemical compound with molecular formula C5H3N3S and molecular weight 137.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrimidin-2-yl thiocyanate
Also Known As: pyrimidin-2-yl thiocyanate, thiocyanopyrimidine, 2-Thiocyanatopyrimidine, 2-thiocyanopyrimidine, 2-Pyrimidinyl thiocyanate
| Molecular Formula | C5H3N3S |
|---|---|
| Molecular Weight | 137.00 g/mol |
| LogP | 1.04978 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.00476 |
| Heavy Atoms | 9 |
| Complexity | 215.39476 |
Chemical Identifiers
| CAS Number | 89283-87-4 |
|---|---|
| SMILES | C1=CN=C(N=C1)SC#N |
Product Overview
Pyrimidin-2-yl thiocyanate (CAS 89283-87-4), with molecular formula C5H3N3S and molecular weight 137.00 g/mol. IUPAC: pyrimidin-2-yl thiocyanate.
Chemical Property Profile of Pyrimidin-2-yl thiocyanate
Property Insights of Pyrimidin-2-yl thiocyanate
The XLogP value of 1.04978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidin-2-yl thiocyanate. With a topological polar surface area (TPSA) of 49.57 Ų, Pyrimidin-2-yl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidin-2-yl thiocyanate 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 Pyrimidin-2-yl thiocyanate?
The CAS number of Pyrimidin-2-yl thiocyanate is 89283-87-4.
What is the molecular formula of Pyrimidin-2-yl thiocyanate?
The molecular formula of Pyrimidin-2-yl thiocyanate is C5H3N3S.
What is the molecular weight of Pyrimidin-2-yl thiocyanate?
The molecular weight of Pyrimidin-2-yl thiocyanate is 137.00 g/mol.
Where can I buy Pyrimidin-2-yl thiocyanate?
You can request a quote for Pyrimidin-2-yl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidin-2-yl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidin-2-yl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.