4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate
TL;DR: 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate (CAS 950-00-5) is a chemical compound with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-nitroprop-1-enyl)phenyl] thiocyanate
Also Known As: Nitrostyrene, Styrocide, 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate, [4-(2-nitroprop-1-enyl)phenyl] thiocyanate, 4-(2-Nitro-1-propenyl)phenyl thiocyanate
| Molecular Formula | C10H8N2O2S |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.03065 |
| Heavy Atoms | 15 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 950-00-5 |
|---|---|
| SMILES | CC(=CC1=CC=C(C=C1)SC#N)[N+](=O)[O-] |
| InChIKey | UHRMSMOCULMYMJ-UHFFFAOYSA-N |
Product Overview
4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate (CAS 950-00-5), with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol. IUPAC: [4-(2-nitroprop-1-enyl)phenyl] thiocyanate.
Chemical Property Profile of 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate
Property Insights of 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate
The XLogP value of 3.1 indicates that 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate. Following Lipinski's Rule of Five, 4-(2-Nitroprop-1-en-1-yl)phenyl 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 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate?
The CAS number of 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate is 950-00-5.
What is the molecular formula of 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate?
The molecular formula of 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate is C10H8N2O2S.
What is the molecular weight of 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate?
The molecular weight of 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate is 220.03 g/mol.
Where can I buy 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate?
You can request a quote for 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Nitroprop-1-en-1-yl)phenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.