6-Isothiocyanatohexanoyl chloride
TL;DR: 6-Isothiocyanatohexanoyl chloride (CAS 39243-52-2) is a chemical compound with molecular formula C7H10ClNOS and molecular weight 191.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-isothiocyanatohexanoyl chloride
Also Known As: 6-isothiocyanatohexanoyl chloride, 6-isothiocyanatocaproyl chloride, Hexanoyl chloride, 6-isothiocyanato-
| Molecular Formula | C7H10ClNOS |
|---|---|
| Molecular Weight | 191.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 61.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 191.01717 |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 39243-52-2 |
|---|---|
| SMILES | C(CCC(=O)Cl)CCN=C=S |
| InChIKey | PDLSNXJMSMGTBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Isothiocyanatohexanoyl chloride (CAS 39243-52-2), with molecular formula C7H10ClNOS and molecular weight 191.02 g/mol. IUPAC: 6-isothiocyanatohexanoyl chloride.
Chemical Property Profile of 6-Isothiocyanatohexanoyl chloride
Property Insights of 6-Isothiocyanatohexanoyl chloride
The XLogP value of 3.1 indicates that 6-Isothiocyanatohexanoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Isothiocyanatohexanoyl chloride. Following Lipinski's Rule of Five, 6-Isothiocyanatohexanoyl chloride has 0 hydrogen bond donor(s) and 3 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 6-Isothiocyanatohexanoyl chloride?
The CAS number of 6-Isothiocyanatohexanoyl chloride is 39243-52-2.
What is the molecular formula of 6-Isothiocyanatohexanoyl chloride?
The molecular formula of 6-Isothiocyanatohexanoyl chloride is C7H10ClNOS.
What is the molecular weight of 6-Isothiocyanatohexanoyl chloride?
The molecular weight of 6-Isothiocyanatohexanoyl chloride is 191.02 g/mol.
Where can I buy 6-Isothiocyanatohexanoyl chloride?
You can request a quote for 6-Isothiocyanatohexanoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Isothiocyanatohexanoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 6-Isothiocyanatohexanoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.