苄基苯基硫醚
TL;DR: 苄基苯基硫醚 (CAS 831-91-4) is a chemical compound with molecular formula C13H12S and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基苯基硫醚
benzylsulfanylbenzene
Also Known As: BENZYL PHENYL SULFIDE, Benzyl(phenyl)sulfane, benzylsulfanylbenzene, Phenyl benzyl sulfide, Sulfide, benzyl phenyl
| Molecular Formula | C13H12S |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.06598 |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 831-91-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC=CC=C2 |
| InChIKey | LKMCJXXOBRCATQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄基苯基硫醚 (CAS 831-91-4), with molecular formula C13H12S and molecular weight 200.07 g/mol. IUPAC: benzylsulfanylbenzene.
Chemical Property Profile of 苄基苯基硫醚
Property Insights of 苄基苯基硫醚
The XLogP value of 3.9 indicates that 苄基苯基硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 苄基苯基硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄基苯基硫醚 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 苄基苯基硫醚?
The CAS number of 苄基苯基硫醚 is 831-91-4.
What is the molecular formula of 苄基苯基硫醚?
The molecular formula of 苄基苯基硫醚 is C13H12S.
What is the molecular weight of 苄基苯基硫醚?
The molecular weight of 苄基苯基硫醚 is 200.07 g/mol.
Where can I buy 苄基苯基硫醚?
You can request a quote for 苄基苯基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基苯基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 苄基苯基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.