1-Isothiocyanato-4-(trans-4-propylcyclohexyl)benzene
TL;DR: 1-Isothiocyanato-4-(trans-4-propylcyclohexyl)benzene (CAS 92412-67-4) is a chemical compound with molecular formula C16H21NS and molecular weight 259.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-4-(4-propylcyclohexyl)benzene
Also Known As: 1-Isothiocyanato-4-(4-propylcyclohexyl)benzene, 1-Isothiocyanato-4-(trans-4-propylcyclohexyl)benzene, 4-(4-Propylcyclohexyl)phenyl isothiocyanate, J1.644.587H, 1-Isothiocyanato-4-(4-propylcyclohexyl)benzene #
| Molecular Formula | C16H21NS |
|---|---|
| Molecular Weight | 259.14 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.13947 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 92412-67-4 |
|---|---|
| SMILES | CCCC1CCC(CC1)C2=CC=C(C=C2)N=C=S |
| InChIKey | IPCQSBSEIBDYIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Isothiocyanato-4-(trans-4-propylcyclohexyl)benzene (CAS 92412-67-4), with molecular formula C16H21NS and molecular weight 259.14 g/mol. IUPAC: 1-isothiocyanato-4-(4-propylcyclohexyl)benzene.
Chemical Property Profile of 1-Isothiocyanato-4-(trans-4-propylcyclohexyl)benzene
Property Insights of 1-Isothiocyanato-4-(trans-4-propylcyclohexyl)benzene
The XLogP value of 7.2 indicates that 1-Isothiocyanato-4-(trans-4-propylcyclohexyl)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-(trans-4-propylcyclohexyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isothiocyanato-4-(trans-4-propylcyclohexyl)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-(trans-4-propylcyclohexyl)benzene?
The CAS number of 1-Isothiocyanato-4-(trans-4-propylcyclohexyl)benzene is 92412-67-4.
What is the molecular formula of 1-Isothiocyanato-4-(trans-4-propylcyclohexyl)benzene?
The molecular formula of 1-Isothiocyanato-4-(trans-4-propylcyclohexyl)benzene is C16H21NS.
What is the molecular weight of 1-Isothiocyanato-4-(trans-4-propylcyclohexyl)benzene?
The molecular weight of 1-Isothiocyanato-4-(trans-4-propylcyclohexyl)benzene is 259.14 g/mol.
Where can I buy 1-Isothiocyanato-4-(trans-4-propylcyclohexyl)benzene?
You can request a quote for 1-Isothiocyanato-4-(trans-4-propylcyclohexyl)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-(trans-4-propylcyclohexyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isothiocyanato-4-(trans-4-propylcyclohexyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.