![Butane, 1-[(trifluoromethyl)thio]- structure](/static/products/7412/7412-26-2.webp)
Butane, 1-[(trifluoromethyl)thio]-
TL;DR: Butane, 1-[(trifluoromethyl)thio]- (CAS 7412-26-2) is a chemical compound with molecular formula C5H9F3S and molecular weight 158.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(trifluoromethylsulfanyl)butane
Also Known As: Butyl trifluoromethyl sulfide, 1-[(trifluoromethyl)thio]butane, 1-(trifluoromethylsulfanyl)butane, Butyl(trifluoromethyl) sulfide, Butane, 1-[(trifluoromethyl)thio]-
| Molecular Formula | C5H9F3S |
|---|---|
| Molecular Weight | 158.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.0377 |
| Heavy Atoms | 9 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 7412-26-2 |
|---|---|
| SMILES | CCCCSC(F)(F)F |
| InChIKey | YAZOZCBGLHEBSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butane, 1-[(trifluoromethyl)thio]- (CAS 7412-26-2), with molecular formula C5H9F3S and molecular weight 158.04 g/mol. IUPAC: 1-(trifluoromethylsulfanyl)butane.
Chemical Property Profile of Butane, 1-[(trifluoromethyl)thio]-
Property Insights of Butane, 1-[(trifluoromethyl)thio]-
The XLogP value of 3.3 indicates that Butane, 1-[(trifluoromethyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Butane, 1-[(trifluoromethyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane, 1-[(trifluoromethyl)thio]- has 0 hydrogen bond donor(s) and 4 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 Butane, 1-[(trifluoromethyl)thio]-?
The CAS number of Butane, 1-[(trifluoromethyl)thio]- is 7412-26-2.
What is the molecular formula of Butane, 1-[(trifluoromethyl)thio]-?
The molecular formula of Butane, 1-[(trifluoromethyl)thio]- is C5H9F3S.
What is the molecular weight of Butane, 1-[(trifluoromethyl)thio]-?
The molecular weight of Butane, 1-[(trifluoromethyl)thio]- is 158.04 g/mol.
Where can I buy Butane, 1-[(trifluoromethyl)thio]-?
You can request a quote for Butane, 1-[(trifluoromethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane, 1-[(trifluoromethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Butane, 1-[(trifluoromethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.