1,12-Diisothiocyanatododecane
TL;DR: 1,12-Diisothiocyanatododecane (CAS 105214-58-2) is a chemical compound with molecular formula C14H24N2S2 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,12-diisothiocyanatododecane
Also Known As: 1,12-diisothiocyanatododecane, Dodecane,12-diisothiocyanato-, J3.729.979K
| Molecular Formula | C14H24N2S2 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 284.1381 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 105214-58-2 |
|---|---|
| SMILES | C(CCCCCCN=C=S)CCCCCN=C=S |
| InChIKey | VFHJZSHCDXOHJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,12-Diisothiocyanatododecane (CAS 105214-58-2), with molecular formula C14H24N2S2 and molecular weight 284.14 g/mol. IUPAC: 1,12-diisothiocyanatododecane.
Chemical Property Profile of 1,12-Diisothiocyanatododecane
Property Insights of 1,12-Diisothiocyanatododecane
The XLogP value of 7.6 indicates that 1,12-Diisothiocyanatododecane 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 1,12-Diisothiocyanatododecane. Following Lipinski's Rule of Five, 1,12-Diisothiocyanatododecane 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 1,12-Diisothiocyanatododecane?
The CAS number of 1,12-Diisothiocyanatododecane is 105214-58-2.
What is the molecular formula of 1,12-Diisothiocyanatododecane?
The molecular formula of 1,12-Diisothiocyanatododecane is C14H24N2S2.
What is the molecular weight of 1,12-Diisothiocyanatododecane?
The molecular weight of 1,12-Diisothiocyanatododecane is 284.14 g/mol.
Where can I buy 1,12-Diisothiocyanatododecane?
You can request a quote for 1,12-Diisothiocyanatododecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,12-Diisothiocyanatododecane?
Yes, KEHONG BIO provides custom synthesis services for 1,12-Diisothiocyanatododecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.