3-Methylbutylsulfanylbenzene
TL;DR: 3-Methylbutylsulfanylbenzene (CAS 15672-95-4) is a chemical compound with molecular formula C11H16S and molecular weight 180.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutylsulfanylbenzene
Also Known As: 3-methylbutylsulfanylbenzene, isopentyl phenyl sulfide, Isopentylphenyl sulfide, 3-methylbutyl phenyl sulfide, [(3-methylbutyl)sulfanyl]benzene
| Molecular Formula | C11H16S |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.09727 |
| Heavy Atoms | 12 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 15672-95-4 |
|---|---|
| SMILES | CC(C)CCSC1=CC=CC=C1 |
| InChIKey | DTADFKNTXRGGOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbutylsulfanylbenzene (CAS 15672-95-4), with molecular formula C11H16S and molecular weight 180.10 g/mol. IUPAC: 3-methylbutylsulfanylbenzene.
Chemical Property Profile of 3-Methylbutylsulfanylbenzene
Property Insights of 3-Methylbutylsulfanylbenzene
The XLogP value of 4.5 indicates that 3-Methylbutylsulfanylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 3-Methylbutylsulfanylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutylsulfanylbenzene 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 3-Methylbutylsulfanylbenzene?
The CAS number of 3-Methylbutylsulfanylbenzene is 15672-95-4.
What is the molecular formula of 3-Methylbutylsulfanylbenzene?
The molecular formula of 3-Methylbutylsulfanylbenzene is C11H16S.
What is the molecular weight of 3-Methylbutylsulfanylbenzene?
The molecular weight of 3-Methylbutylsulfanylbenzene is 180.10 g/mol.
Where can I buy 3-Methylbutylsulfanylbenzene?
You can request a quote for 3-Methylbutylsulfanylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutylsulfanylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutylsulfanylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.