Benzene, (butylthio)-
TL;DR: Benzene, (butylthio)- (CAS 1126-80-3) is a chemical compound with molecular formula CCCCSC1=CC=CC=C1 and molecular weight 166.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butylsulfanylbenzene
Also Known As: Butylthiobenzene, Butyl(phenyl)sulfane, Benzene, (butylthio)-, butylsulfanylbenzene, Phenyl butyl sulfide
| Molecular Formula | CCCCSC1=CC=CC=C1 |
|---|---|
| Molecular Weight | 166.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.08162 |
| Heavy Atoms | 11 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 1126-80-3 |
|---|---|
| SMILES | CCCCSC1=CC=CC=C1 |
| InChIKey | JETFNRIIPBNRAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (butylthio)- (CAS 1126-80-3), with molecular formula CCCCSC1=CC=CC=C1 and molecular weight 166.08 g/mol. IUPAC: butylsulfanylbenzene.
Chemical Property Profile of Benzene, (butylthio)-
Property Insights of Benzene, (butylthio)-
The XLogP value of 4.1 indicates that Benzene, (butylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, (butylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (butylthio)- has 0 hydrogen bond donor(s) and 1 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 Benzene, (butylthio)-?
The CAS number of Benzene, (butylthio)- is 1126-80-3.
What is the molecular formula of Benzene, (butylthio)-?
The molecular formula of Benzene, (butylthio)- is CCCCSC1=CC=CC=C1.
What is the molecular weight of Benzene, (butylthio)-?
The molecular weight of Benzene, (butylthio)- is 166.08 g/mol.
Where can I buy Benzene, (butylthio)-?
You can request a quote for Benzene, (butylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (butylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (butylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.