3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane
TL;DR: 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane (CAS 107433-77-2) is a chemical compound with molecular formula C11H16N2S2 and molecular weight 240.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane
Also Known As: 3-isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane, 3H-Pyrazol-3-one,2,4-dihydro-5-methyl-4-phenoxy-2-phenyl, Cyclopentane,3-isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethyl-, Acetonitrile, (1,2,6,7-tetrahydro-8H-indeno(5,4-b)furan-8-ylidene)-, (2E)-, 3-isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethyl-cyclopentane
| Molecular Formula | C11H16N2S2 |
|---|---|
| Molecular Weight | 240.08 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.07549 |
| Heavy Atoms | 15 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 107433-77-2 |
|---|---|
| SMILES | CC1CC(C(C1N=C=S)CN=C=S)(C)C |
| InChIKey | KJZCFJGPGXFPRH-UHFFFAOYSA-N |
Product Overview
3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane (CAS 107433-77-2), with molecular formula C11H16N2S2 and molecular weight 240.08 g/mol. IUPAC: 3-isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane.
Chemical Property Profile of 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane
Property Insights of 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane
The XLogP value of 5.4 indicates that 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane. Following Lipinski's Rule of Five, 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane?
The CAS number of 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane is 107433-77-2.
What is the molecular formula of 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane?
The molecular formula of 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane is C11H16N2S2.
What is the molecular weight of 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane?
The molecular weight of 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane is 240.08 g/mol.
Where can I buy 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane?
You can request a quote for 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane?
Yes, KEHONG BIO provides custom synthesis services for 3-Isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.