![1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene structure](/static/products/1781/17816-01-2.webp)
1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene
TL;DR: 1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene (CAS 17816-01-2) is a chemical compound with molecular formula C16H13NS and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene
Also Known As: 1-isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene, 1-isothiocyanato-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
| Molecular Formula | C16H13NS |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.07687 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 17816-01-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=CC2=CC=C(C=C2)N=C=S |
| InChIKey | SDRPDAQKPFCBRM-UHFFFAOYSA-N |
Product Overview
1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene (CAS 17816-01-2), with molecular formula C16H13NS and molecular weight 251.08 g/mol. IUPAC: 1-isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene.
Chemical Property Profile of 1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene
Property Insights of 1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene
The XLogP value of 6.2 indicates that 1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene?
The CAS number of 1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene is 17816-01-2.
What is the molecular formula of 1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene?
The molecular formula of 1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene is C16H13NS.
What is the molecular weight of 1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene?
The molecular weight of 1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene is 251.08 g/mol.
Where can I buy 1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene?
You can request a quote for 1-Isothiocyanato-4-[2-(4-methylphenyl)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-[2-(4-methylphenyl)ethenyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isothiocyanato-4-[2-(4-methylphenyl)ethenyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.