苯硫醚
TL;DR: 苯硫醚 (CAS 139-66-2) is a chemical compound with molecular formula C12H10S and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯硫醚
phenylsulfanylbenzene
Also Known As: Diphenyl sulfide, Phenyl sulfide, Diphenyl sulphide, Diphenylmercaptan, DIPHENYLSULFANE
| Molecular Formula | C12H10S |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.05032 |
| Heavy Atoms | 13 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 139-66-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=CC=C2 |
| InChIKey | LTYMSROWYAPPGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯硫醚 (CAS 139-66-2), with molecular formula C12H10S and molecular weight 186.05 g/mol. IUPAC: phenylsulfanylbenzene.
Chemical Property Profile of 苯硫醚
Property Insights of 苯硫醚
The XLogP value of 4.5 indicates that 苯硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 苯硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯硫醚 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 苯硫醚?
The CAS number of 苯硫醚 is 139-66-2.
What is the molecular formula of 苯硫醚?
The molecular formula of 苯硫醚 is C12H10S.
What is the molecular weight of 苯硫醚?
The molecular weight of 苯硫醚 is 186.05 g/mol.
Where can I buy 苯硫醚?
You can request a quote for 苯硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯硫醚?
Yes, KEHONG BIO provides custom synthesis services for 苯硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.