Thienyldecyl isothiocyanate
TL;DR: Thienyldecyl isothiocyanate (CAS 288323-41-1) is a chemical compound with molecular formula C15H23NS2 and molecular weight 281.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(10-isothiocyanatodecyl)thiophene
Also Known As: Thienyldecyl isothiocyanate, 2-(10-isothiocyanatodecyl)thiophene, 2-(10-isothiocyanatodecyl)-thiophene
| Molecular Formula | C15H23NS2 |
|---|---|
| Molecular Weight | 281.13 g/mol |
| LogP | 5.5142 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 281.1272 |
| Heavy Atoms | 18 |
| Complexity | 326.2726 |
Chemical Identifiers
| CAS Number | 288323-41-1 |
|---|---|
| SMILES | C1=CSC(=C1)CCCCCCCCCCN=C=S |
Product Overview
Thienyldecyl isothiocyanate (CAS 288323-41-1), with molecular formula C15H23NS2 and molecular weight 281.13 g/mol. IUPAC: 2-(10-isothiocyanatodecyl)thiophene.
Chemical Property Profile of Thienyldecyl isothiocyanate
Property Insights of Thienyldecyl isothiocyanate
The XLogP value of 5.5142 indicates that Thienyldecyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, Thienyldecyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thienyldecyl isothiocyanate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thienyldecyl isothiocyanate?
The CAS number of Thienyldecyl isothiocyanate is 288323-41-1.
What is the molecular formula of Thienyldecyl isothiocyanate?
The molecular formula of Thienyldecyl isothiocyanate is C15H23NS2.
What is the molecular weight of Thienyldecyl isothiocyanate?
The molecular weight of Thienyldecyl isothiocyanate is 281.13 g/mol.
Where can I buy Thienyldecyl isothiocyanate?
You can request a quote for Thienyldecyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thienyldecyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Thienyldecyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.