(2-Buten-1-ylthio)benzene
TL;DR: (2-Buten-1-ylthio)benzene (CAS 702-04-5) 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-2-enylsulfanylbenzene
Also Known As: but-2-enylsulfanylbenzene, (2-Buten-1-ylthio)benzene, CROTYL PHENYL SULFIDE, Benzene, (2-butenylthio)-, trans-1-(Phenylthio)-2-butene
| Molecular Formula | C10H12S |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 3.7 |
| 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 | 702-04-5 |
|---|---|
| SMILES | CC=CCSC1=CC=CC=C1 |
| InChIKey | BNNLEMHAUPCSCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Buten-1-ylthio)benzene (CAS 702-04-5), with molecular formula C10H12S and molecular weight 164.07 g/mol. IUPAC: but-2-enylsulfanylbenzene.
Chemical Property Profile of (2-Buten-1-ylthio)benzene
Property Insights of (2-Buten-1-ylthio)benzene
The XLogP value of 3.7 indicates that (2-Buten-1-ylthio)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, (2-Buten-1-ylthio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Buten-1-ylthio)benzene 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 (2-Buten-1-ylthio)benzene?
The CAS number of (2-Buten-1-ylthio)benzene is 702-04-5.
What is the molecular formula of (2-Buten-1-ylthio)benzene?
The molecular formula of (2-Buten-1-ylthio)benzene is C10H12S.
What is the molecular weight of (2-Buten-1-ylthio)benzene?
The molecular weight of (2-Buten-1-ylthio)benzene is 164.07 g/mol.
Where can I buy (2-Buten-1-ylthio)benzene?
You can request a quote for (2-Buten-1-ylthio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Buten-1-ylthio)benzene?
Yes, KEHONG BIO provides custom synthesis services for (2-Buten-1-ylthio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.