s-Dodecyl trichloroethanethioate
TL;DR: s-Dodecyl trichloroethanethioate (CAS 6973-73-5) is a chemical compound with molecular formula C14H25Cl3OS and molecular weight 346.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-dodecyl 2,2,2-trichloroethanethioate
Also Known As: s-dodecyl trichloroethanethioate, S-dodecyl 2,2,2-trichloroethanethioate
| Molecular Formula | C14H25Cl3OS |
|---|---|
| Molecular Weight | 346.07 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 346.06918 |
| Heavy Atoms | 19 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 6973-73-5 |
|---|---|
| SMILES | CCCCCCCCCCCCSC(=O)C(Cl)(Cl)Cl |
| InChIKey | IJNAGZDQPXMIEY-UHFFFAOYSA-N |
Product Overview
s-Dodecyl trichloroethanethioate (CAS 6973-73-5), with molecular formula C14H25Cl3OS and molecular weight 346.07 g/mol. IUPAC: S-dodecyl 2,2,2-trichloroethanethioate.
Chemical Property Profile of s-Dodecyl trichloroethanethioate
Property Insights of s-Dodecyl trichloroethanethioate
The XLogP value of 8.1 indicates that s-Dodecyl trichloroethanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, s-Dodecyl trichloroethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Dodecyl trichloroethanethioate 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 s-Dodecyl trichloroethanethioate?
The CAS number of s-Dodecyl trichloroethanethioate is 6973-73-5.
What is the molecular formula of s-Dodecyl trichloroethanethioate?
The molecular formula of s-Dodecyl trichloroethanethioate is C14H25Cl3OS.
What is the molecular weight of s-Dodecyl trichloroethanethioate?
The molecular weight of s-Dodecyl trichloroethanethioate is 346.07 g/mol.
Where can I buy s-Dodecyl trichloroethanethioate?
You can request a quote for s-Dodecyl trichloroethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Dodecyl trichloroethanethioate?
Yes, KEHONG BIO provides custom synthesis services for s-Dodecyl trichloroethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.