Dodecyl isothiocyanate
TL;DR: Dodecyl isothiocyanate (CAS 1072-32-8) is a chemical compound with molecular formula C13H25NS and molecular weight 227.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanatododecane
Also Known As: Dodecyl isothiocyanate, 1-Isothiocyanatododecane, 1-Dodecyl isothiocyanate, N-Dodecyl Isothiocyanate, dodecylisothiocyanate
| Molecular Formula | C13H25NS |
|---|---|
| Molecular Weight | 227.17 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 227.17078 |
| Heavy Atoms | 15 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 1072-32-8 |
|---|---|
| SMILES | CCCCCCCCCCCCN=C=S |
| InChIKey | LPVQVNLMFKGGCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dodecyl isothiocyanate (CAS 1072-32-8), with molecular formula C13H25NS and molecular weight 227.17 g/mol. IUPAC: 1-isothiocyanatododecane.
Chemical Property Profile of Dodecyl isothiocyanate
Property Insights of Dodecyl isothiocyanate
The XLogP value of 7.2 indicates that Dodecyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, Dodecyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecyl isothiocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dodecyl isothiocyanate?
The CAS number of Dodecyl isothiocyanate is 1072-32-8.
What is the molecular formula of Dodecyl isothiocyanate?
The molecular formula of Dodecyl isothiocyanate is C13H25NS.
What is the molecular weight of Dodecyl isothiocyanate?
The molecular weight of Dodecyl isothiocyanate is 227.17 g/mol.
Where can I buy Dodecyl isothiocyanate?
You can request a quote for Dodecyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.