2-Benzylbenzenethiol
TL;DR: 2-Benzylbenzenethiol (CAS 120454-34-4) is a chemical compound with molecular formula C13H12S and molecular weight 200.06598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylbenzenethiol
Also Known As: 2-benzylbenzenethiol, benzyl thiophenol, 2-mercaptodiphenylmethane, 2-Benzylbenzene-1-thiol, Benzenethiol, 2-(phenylmethyl)-
Technical Specifications
| Molecular Formula | C13H12S |
| Molecular Weight | 200.06598 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.06598 Da |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
| SMILES | C1=CC=C(C=C1)CC2=CC=CC=C2S |
| InChIKey | QTKHXEAIGWJFPO-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzylbenzenethiol
Property Insights of 2-Benzylbenzenethiol
The XLogP value of 4.0 indicates that 2-Benzylbenzenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 2-Benzylbenzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylbenzenethiol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Benzylbenzenethiol?
The CAS number of 2-Benzylbenzenethiol is 120454-34-4.
What is the molecular formula of 2-Benzylbenzenethiol?
The molecular formula of 2-Benzylbenzenethiol is C13H12S.
What is the molecular weight of 2-Benzylbenzenethiol?
The molecular weight of 2-Benzylbenzenethiol is 200.06598 g/mol.
Where can I buy 2-Benzylbenzenethiol?
You can request a quote for 2-Benzylbenzenethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzylbenzenethiol?
Yes, CoreyChem provides custom synthesis services for 2-Benzylbenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.