Benzene, ((3-phenoxypropyl)thio)-
TL;DR: Benzene, ((3-phenoxypropyl)thio)- (CAS 59950-10-6) is a chemical compound with molecular formula C15H16OS and molecular weight 244.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenoxypropylsulfanylbenzene
Also Known As: Benzene, ((3-phenoxypropyl)thio)-, 3-phenoxypropylsulfanylbenzene, 3-Phenoxypropylphenyl sulfide, Benzene,[(3-phenoxypropyl)thio]-, [(3-phenoxypropyl)sulfanyl]benzene
| Molecular Formula | C15H16OS |
|---|---|
| Molecular Weight | 244.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 244.0922 |
| Heavy Atoms | 17 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 59950-10-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCSC2=CC=CC=C2 |
| InChIKey | DYESPVOVFYSSGL-UHFFFAOYSA-N |
Product Overview
Benzene, ((3-phenoxypropyl)thio)- (CAS 59950-10-6), with molecular formula C15H16OS and molecular weight 244.09 g/mol. IUPAC: 3-phenoxypropylsulfanylbenzene.
Chemical Property Profile of Benzene, ((3-phenoxypropyl)thio)-
Property Insights of Benzene, ((3-phenoxypropyl)thio)-
The XLogP value of 4.5 indicates that Benzene, ((3-phenoxypropyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, Benzene, ((3-phenoxypropyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, ((3-phenoxypropyl)thio)- has 0 hydrogen bond donor(s) and 2 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, ((3-phenoxypropyl)thio)-?
The CAS number of Benzene, ((3-phenoxypropyl)thio)- is 59950-10-6.
What is the molecular formula of Benzene, ((3-phenoxypropyl)thio)-?
The molecular formula of Benzene, ((3-phenoxypropyl)thio)- is C15H16OS.
What is the molecular weight of Benzene, ((3-phenoxypropyl)thio)-?
The molecular weight of Benzene, ((3-phenoxypropyl)thio)- is 244.09 g/mol.
Where can I buy Benzene, ((3-phenoxypropyl)thio)-?
You can request a quote for Benzene, ((3-phenoxypropyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, ((3-phenoxypropyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, ((3-phenoxypropyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.