Cyclohexanecarbonyl isothiocyanate
TL;DR: Cyclohexanecarbonyl isothiocyanate (CAS 27699-51-0) is a chemical compound with molecular formula C8H11NOS and molecular weight 169.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexanecarbonyl isothiocyanate
Also Known As: cyclohexanecarbonyl isothiocyanate, Cyclohexanecarbonyl isothiocyanate (9CI), 1-Cyclohexanecarbonyl isothiocyanate, CYCLOHEXANECARBONYLISOTHIOCYANATE, Cyclohexanecarbonylisothiocyanate (9CI)
| Molecular Formula | C8H11NOS |
|---|---|
| Molecular Weight | 169.06 g/mol |
| LogP | 2.1961 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.05614 |
| Heavy Atoms | 11 |
| Complexity | 190.26874 |
Chemical Identifiers
| CAS Number | 27699-51-0 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)N=C=S |
Product Overview
Cyclohexanecarbonyl isothiocyanate (CAS 27699-51-0), with molecular formula C8H11NOS and molecular weight 169.06 g/mol. IUPAC: cyclohexanecarbonyl isothiocyanate.
Chemical Property Profile of Cyclohexanecarbonyl isothiocyanate
Property Insights of Cyclohexanecarbonyl isothiocyanate
The XLogP value of 2.1961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarbonyl isothiocyanate. With a topological polar surface area (TPSA) of 29.43 Ų, Cyclohexanecarbonyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarbonyl 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 Cyclohexanecarbonyl isothiocyanate?
The CAS number of Cyclohexanecarbonyl isothiocyanate is 27699-51-0.
What is the molecular formula of Cyclohexanecarbonyl isothiocyanate?
The molecular formula of Cyclohexanecarbonyl isothiocyanate is C8H11NOS.
What is the molecular weight of Cyclohexanecarbonyl isothiocyanate?
The molecular weight of Cyclohexanecarbonyl isothiocyanate is 169.06 g/mol.
Where can I buy Cyclohexanecarbonyl isothiocyanate?
You can request a quote for Cyclohexanecarbonyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarbonyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarbonyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.