1-Isothiocyanato-4-(2-phenylethenyl)benzene
TL;DR: 1-Isothiocyanato-4-(2-phenylethenyl)benzene (CAS 10319-35-4) is a chemical compound with molecular formula C15H11NS and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-4-(2-phenylethenyl)benzene
Also Known As: 4'isothiocyanatostilbene, 1-isothiocyanato-4-(2-phenylethenyl)benzene, 4-ISOTHIOCYANATO-STILBENE, Benzene,1-isothiocyanato-4-(2-phenylethenyl)-, 1-Isothiocyanato-4-(2-phenylethen-1-yl)benzene
| Molecular Formula | C15H11NS |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.06122 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 10319-35-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC2=CC=C(C=C2)N=C=S |
| InChIKey | KAISPZVXPUOPBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Isothiocyanato-4-(2-phenylethenyl)benzene (CAS 10319-35-4), with molecular formula C15H11NS and molecular weight 237.06 g/mol. IUPAC: 1-isothiocyanato-4-(2-phenylethenyl)benzene.
Chemical Property Profile of 1-Isothiocyanato-4-(2-phenylethenyl)benzene
Property Insights of 1-Isothiocyanato-4-(2-phenylethenyl)benzene
The XLogP value of 5.8 indicates that 1-Isothiocyanato-4-(2-phenylethenyl)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-phenylethenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isothiocyanato-4-(2-phenylethenyl)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-phenylethenyl)benzene?
The CAS number of 1-Isothiocyanato-4-(2-phenylethenyl)benzene is 10319-35-4.
What is the molecular formula of 1-Isothiocyanato-4-(2-phenylethenyl)benzene?
The molecular formula of 1-Isothiocyanato-4-(2-phenylethenyl)benzene is C15H11NS.
What is the molecular weight of 1-Isothiocyanato-4-(2-phenylethenyl)benzene?
The molecular weight of 1-Isothiocyanato-4-(2-phenylethenyl)benzene is 237.06 g/mol.
Where can I buy 1-Isothiocyanato-4-(2-phenylethenyl)benzene?
You can request a quote for 1-Isothiocyanato-4-(2-phenylethenyl)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-phenylethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isothiocyanato-4-(2-phenylethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.