Cyclooctane-1,2-diyl bis(thiocyanate)
TL;DR: Cyclooctane-1,2-diyl bis(thiocyanate) (CAS 73908-96-0) is a chemical compound with molecular formula C10H14N2S2 and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-thiocyanatocyclooctyl) thiocyanate
Also Known As: NCIOpen2_006222, (2-thiocyanatocyclooctyl) thiocyanate, cyclooctane-1,2-diyl bis(thiocyanate), Thiocyanic acid,2-cyclooctylene ester, Thiocyanic acid, dl-trans-1,2-cyclooctylene ester
| Molecular Formula | C10H14N2S2 |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.05984 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 73908-96-0 |
|---|---|
| SMILES | C1CCCC(C(CC1)SC#N)SC#N |
| InChIKey | ZPEGMCSXWLQQFW-UHFFFAOYSA-N |
Product Overview
Cyclooctane-1,2-diyl bis(thiocyanate) (CAS 73908-96-0), with molecular formula C10H14N2S2 and molecular weight 226.06 g/mol. IUPAC: (2-thiocyanatocyclooctyl) thiocyanate.
Chemical Property Profile of Cyclooctane-1,2-diyl bis(thiocyanate)
Property Insights of Cyclooctane-1,2-diyl bis(thiocyanate)
The XLogP value of 4.0 indicates that Cyclooctane-1,2-diyl bis(thiocyanate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclooctane-1,2-diyl bis(thiocyanate). Following Lipinski's Rule of Five, Cyclooctane-1,2-diyl bis(thiocyanate) has 0 hydrogen bond donor(s) and 4 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 Cyclooctane-1,2-diyl bis(thiocyanate)?
The CAS number of Cyclooctane-1,2-diyl bis(thiocyanate) is 73908-96-0.
What is the molecular formula of Cyclooctane-1,2-diyl bis(thiocyanate)?
The molecular formula of Cyclooctane-1,2-diyl bis(thiocyanate) is C10H14N2S2.
What is the molecular weight of Cyclooctane-1,2-diyl bis(thiocyanate)?
The molecular weight of Cyclooctane-1,2-diyl bis(thiocyanate) is 226.06 g/mol.
Where can I buy Cyclooctane-1,2-diyl bis(thiocyanate)?
You can request a quote for Cyclooctane-1,2-diyl bis(thiocyanate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclooctane-1,2-diyl bis(thiocyanate)?
Yes, KEHONG BIO provides custom synthesis services for Cyclooctane-1,2-diyl bis(thiocyanate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.