Cyclohexyl isothiocyanate
TL;DR: Cyclohexyl isothiocyanate (CAS 1122-82-3) is a chemical compound with molecular formula C7H11NS and molecular weight 141.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isothiocyanatocyclohexane
Also Known As: Cyclohexyl isothiocyanate, ISOTHIOCYANATOCYCLOHEXANE, Cyclohexane, isothiocyanato-, Isothiocyanocyclohexane, Cyclohexyl-isothiocyanat
| Molecular Formula | C7H11NS |
|---|---|
| Molecular Weight | 141.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.06122 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 1122-82-3 |
|---|---|
| SMILES | C1CCC(CC1)N=C=S |
| InChIKey | MZSJGCPBOVTKHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexyl isothiocyanate (CAS 1122-82-3), with molecular formula C7H11NS and molecular weight 141.06 g/mol. IUPAC: isothiocyanatocyclohexane.
Chemical Property Profile of Cyclohexyl isothiocyanate
Property Insights of Cyclohexyl isothiocyanate
The XLogP value of 3.4 indicates that Cyclohexyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, Cyclohexyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl isothiocyanate 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 Cyclohexyl isothiocyanate?
The CAS number of Cyclohexyl isothiocyanate is 1122-82-3.
What is the molecular formula of Cyclohexyl isothiocyanate?
The molecular formula of Cyclohexyl isothiocyanate is C7H11NS.
What is the molecular weight of Cyclohexyl isothiocyanate?
The molecular weight of Cyclohexyl isothiocyanate is 141.06 g/mol.
Where can I buy Cyclohexyl isothiocyanate?
You can request a quote for Cyclohexyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.