![1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene structure](/static/products/178/17816-12-5.png)
1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
TL;DR: 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene (CAS 17816-12-5) is a chemical compound with molecular formula C15H10N2O2S and molecular weight 282.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
Also Known As: 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene, 1-Isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethen-1-yl]benzene
| Molecular Formula | C15H10N2O2S |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 4.4995 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.0463 |
| Heavy Atoms | 20 |
| Complexity | 637.31836 |
Chemical Identifiers
| CAS Number | 17816-12-5 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)[N+](=O)[O-])N=C=S |
Product Overview
1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene (CAS 17816-12-5), with molecular formula C15H10N2O2S and molecular weight 282.05 g/mol. IUPAC: 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene.
Chemical Property Profile of 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
Property Insights of 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
The XLogP value of 4.4995 indicates that 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.5 Ų, 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene 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 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The CAS number of 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene is 17816-12-5.
What is the molecular formula of 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The molecular formula of 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene is C15H10N2O2S.
What is the molecular weight of 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The molecular weight of 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene is 282.05 g/mol.
Where can I buy 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
You can request a quote for 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-isothiocyanato-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.