(Isothiocyanatomethyl)Cyclohexane
TL;DR: (Isothiocyanatomethyl)Cyclohexane (CAS 52395-66-1) is a chemical compound with molecular formula C8H13NS and molecular weight 155.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isothiocyanatomethylcyclohexane
Also Known As: Cyclohexanemethyl isothiocyanate, Cyclohexylmethyl isothiocyanate, (Isothiocyanatomethyl)cyclohexane, isothiocyanatomethylcyclohexane, cyclohexylmethanisothiocyanate
| Molecular Formula | C8H13NS |
|---|---|
| Molecular Weight | 155.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.07687 |
| Heavy Atoms | 10 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 52395-66-1 |
|---|---|
| SMILES | C1CCC(CC1)CN=C=S |
| InChIKey | RYBJNWIQNLZNPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Isothiocyanatomethyl)Cyclohexane (CAS 52395-66-1), with molecular formula C8H13NS and molecular weight 155.08 g/mol. IUPAC: isothiocyanatomethylcyclohexane.
Chemical Property Profile of (Isothiocyanatomethyl)Cyclohexane
Property Insights of (Isothiocyanatomethyl)Cyclohexane
The XLogP value of 4.0 indicates that (Isothiocyanatomethyl)Cyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, (Isothiocyanatomethyl)Cyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Isothiocyanatomethyl)Cyclohexane 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 (Isothiocyanatomethyl)Cyclohexane?
The CAS number of (Isothiocyanatomethyl)Cyclohexane is 52395-66-1.
What is the molecular formula of (Isothiocyanatomethyl)Cyclohexane?
The molecular formula of (Isothiocyanatomethyl)Cyclohexane is C8H13NS.
What is the molecular weight of (Isothiocyanatomethyl)Cyclohexane?
The molecular weight of (Isothiocyanatomethyl)Cyclohexane is 155.08 g/mol.
Where can I buy (Isothiocyanatomethyl)Cyclohexane?
You can request a quote for (Isothiocyanatomethyl)Cyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Isothiocyanatomethyl)Cyclohexane?
Yes, KEHONG BIO provides custom synthesis services for (Isothiocyanatomethyl)Cyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.