3,3,5-Trimethylcyclohexyl isothiocyanate
TL;DR: 3,3,5-Trimethylcyclohexyl isothiocyanate (CAS 200934-32-3) is a chemical compound with molecular formula C10H17NS and molecular weight 183.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isothiocyanato-1,1,5-trimethylcyclohexane
Also Known As: 3,3,5-trimethylcyclohexyl isothiocyanate, 3-isothiocyanato-1,1,5-trimethylcyclohexane, 3,5,5-TRIMETHYLCYCLOHEXYL ISOTHIOCYANATE, 3-isothiocyanato-1,1,5-trimethyl-cyclohexane, Cyclohexane,3-isothiocyanato-1,1,5-trimethyl-
| Molecular Formula | C10H17NS |
|---|---|
| Molecular Weight | 183.11 g/mol |
| LogP | 3.304 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.10817 |
| Heavy Atoms | 12 |
| Complexity | 203.88412 |
Chemical Identifiers
| CAS Number | 200934-32-3 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)N=C=S |
Product Overview
3,3,5-Trimethylcyclohexyl isothiocyanate (CAS 200934-32-3), with molecular formula C10H17NS and molecular weight 183.11 g/mol. IUPAC: 3-isothiocyanato-1,1,5-trimethylcyclohexane.
Chemical Property Profile of 3,3,5-Trimethylcyclohexyl isothiocyanate
Property Insights of 3,3,5-Trimethylcyclohexyl isothiocyanate
The XLogP value of 3.304 indicates that 3,3,5-Trimethylcyclohexyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 3,3,5-Trimethylcyclohexyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5-Trimethylcyclohexyl 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 3,3,5-Trimethylcyclohexyl isothiocyanate?
The CAS number of 3,3,5-Trimethylcyclohexyl isothiocyanate is 200934-32-3.
What is the molecular formula of 3,3,5-Trimethylcyclohexyl isothiocyanate?
The molecular formula of 3,3,5-Trimethylcyclohexyl isothiocyanate is C10H17NS.
What is the molecular weight of 3,3,5-Trimethylcyclohexyl isothiocyanate?
The molecular weight of 3,3,5-Trimethylcyclohexyl isothiocyanate is 183.11 g/mol.
Where can I buy 3,3,5-Trimethylcyclohexyl isothiocyanate?
You can request a quote for 3,3,5-Trimethylcyclohexyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,5-Trimethylcyclohexyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5-Trimethylcyclohexyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.