1-(Phenylthio)naphthalene
TL;DR: 1-(Phenylthio)naphthalene (CAS 75702-86-2) is a chemical compound with molecular formula C16H12S and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylsulfanylnaphthalene
Also Known As: 1-(Phenylthio)naphthalene, 1-(Phenylsulfanyl)naphthalene, 1-phenylsulfanylnaphthalene, Naphthalene, 1-(phenylthio)-, Sulfide, 1-naphthyl phenyl
| Molecular Formula | C16H12S |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.06598 |
| Heavy Atoms | 17 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 75702-86-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=CC3=CC=CC=C32 |
| InChIKey | UUZCTKYYDFEULY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Phenylthio)naphthalene (CAS 75702-86-2), with molecular formula C16H12S and molecular weight 236.07 g/mol. IUPAC: 1-phenylsulfanylnaphthalene.
Chemical Property Profile of 1-(Phenylthio)naphthalene
Property Insights of 1-(Phenylthio)naphthalene
The XLogP value of 5.2 indicates that 1-(Phenylthio)naphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1-(Phenylthio)naphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Phenylthio)naphthalene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Phenylthio)naphthalene?
The CAS number of 1-(Phenylthio)naphthalene is 75702-86-2.
What is the molecular formula of 1-(Phenylthio)naphthalene?
The molecular formula of 1-(Phenylthio)naphthalene is C16H12S.
What is the molecular weight of 1-(Phenylthio)naphthalene?
The molecular weight of 1-(Phenylthio)naphthalene is 236.07 g/mol.
Where can I buy 1-(Phenylthio)naphthalene?
You can request a quote for 1-(Phenylthio)naphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylthio)naphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylthio)naphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.