Decane, 1-isothiocyanato-
TL;DR: Decane, 1-isothiocyanato- (CAS 24540-94-1) is a chemical compound with molecular formula C11H21NS and molecular weight 199.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanatodecane
Also Known As: Decyl isothiocyanate, 1-Isothiocyanatodecane, Decane, 1-isothiocyanato-, 1-decyl isothiocyanate, Decylisothiocyanat
| Molecular Formula | C11H21NS |
|---|---|
| Molecular Weight | 199.14 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 199.13947 |
| Heavy Atoms | 13 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 24540-94-1 |
|---|---|
| SMILES | CCCCCCCCCCN=C=S |
| InChIKey | HFWWGJSMDPUEFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decane, 1-isothiocyanato- (CAS 24540-94-1), with molecular formula C11H21NS and molecular weight 199.14 g/mol. IUPAC: 1-isothiocyanatodecane.
Chemical Property Profile of Decane, 1-isothiocyanato-
Property Insights of Decane, 1-isothiocyanato-
The XLogP value of 6.1 indicates that Decane, 1-isothiocyanato- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, Decane, 1-isothiocyanato- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decane, 1-isothiocyanato- 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 Decane, 1-isothiocyanato-?
The CAS number of Decane, 1-isothiocyanato- is 24540-94-1.
What is the molecular formula of Decane, 1-isothiocyanato-?
The molecular formula of Decane, 1-isothiocyanato- is C11H21NS.
What is the molecular weight of Decane, 1-isothiocyanato-?
The molecular weight of Decane, 1-isothiocyanato- is 199.14 g/mol.
Where can I buy Decane, 1-isothiocyanato-?
You can request a quote for Decane, 1-isothiocyanato- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decane, 1-isothiocyanato-?
Yes, KEHONG BIO provides custom synthesis services for Decane, 1-isothiocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.