Benzene, (1-butenylthio)-
TL;DR: Benzene, (1-butenylthio)- (CAS 50550-52-2) is a chemical compound with molecular formula C10H12S and molecular weight 164.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-1-enylsulfanylbenzene
Also Known As: but-1-enylsulfanylbenzene, Benzene, (1-butenylthio)-, 1-thiophenyl-1-butene, [(But-1-en-1-yl)sulfanyl]benzene
| Molecular Formula | C10H12S |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.06598 |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 50550-52-2 |
|---|---|
| SMILES | CCC=CSC1=CC=CC=C1 |
| InChIKey | PXAUEKOLGHSMRX-UHFFFAOYSA-N |
Product Overview
Benzene, (1-butenylthio)- (CAS 50550-52-2), with molecular formula C10H12S and molecular weight 164.07 g/mol. IUPAC: but-1-enylsulfanylbenzene.
Chemical Property Profile of Benzene, (1-butenylthio)-
Property Insights of Benzene, (1-butenylthio)-
The XLogP value of 3.6 indicates that Benzene, (1-butenylthio)- 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, (1-butenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1-butenylthio)- 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, (1-butenylthio)-?
The CAS number of Benzene, (1-butenylthio)- is 50550-52-2.
What is the molecular formula of Benzene, (1-butenylthio)-?
The molecular formula of Benzene, (1-butenylthio)- is C10H12S.
What is the molecular weight of Benzene, (1-butenylthio)-?
The molecular weight of Benzene, (1-butenylthio)- is 164.07 g/mol.
Where can I buy Benzene, (1-butenylthio)-?
You can request a quote for Benzene, (1-butenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (1-butenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1-butenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.