1-Isothiocyanato-2-phenylbenzene
TL;DR: 1-Isothiocyanato-2-phenylbenzene (CAS 19394-61-7) is a chemical compound with molecular formula C13H9NS and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-2-phenylbenzene
Also Known As: 2-Biphenyl isothiocyanate, 1-isothiocyanato-2-phenylbenzene, 2-Biphenylisothiocyanate, 2-Isothiocyanato-1,1'-biphenyl, biphenyl isothiocyanate
| Molecular Formula | C13H9NS |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.04558 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 19394-61-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=CC=C2N=C=S |
| InChIKey | OAYSYSIGKCDBKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Isothiocyanato-2-phenylbenzene (CAS 19394-61-7), with molecular formula C13H9NS and molecular weight 211.05 g/mol. IUPAC: 1-isothiocyanato-2-phenylbenzene.
Chemical Property Profile of 1-Isothiocyanato-2-phenylbenzene
Property Insights of 1-Isothiocyanato-2-phenylbenzene
The XLogP value of 4.9 indicates that 1-Isothiocyanato-2-phenylbenzene 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-2-phenylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isothiocyanato-2-phenylbenzene has 0 hydrogen bond donor(s) and 2 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-2-phenylbenzene?
The CAS number of 1-Isothiocyanato-2-phenylbenzene is 19394-61-7.
What is the molecular formula of 1-Isothiocyanato-2-phenylbenzene?
The molecular formula of 1-Isothiocyanato-2-phenylbenzene is C13H9NS.
What is the molecular weight of 1-Isothiocyanato-2-phenylbenzene?
The molecular weight of 1-Isothiocyanato-2-phenylbenzene is 211.05 g/mol.
Where can I buy 1-Isothiocyanato-2-phenylbenzene?
You can request a quote for 1-Isothiocyanato-2-phenylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isothiocyanato-2-phenylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isothiocyanato-2-phenylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.