Α-甲基苯甲硫醇
TL;DR: Α-甲基苯甲硫醇 (CAS 33877-16-6) is a chemical compound with molecular formula C8H10S and molecular weight 138.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Α-甲基苯甲硫醇
1-phenylethanethiol
Also Known As: 1-Phenylethanethiol, 1-phenylethane-1-thiol, (R)-1-Phenylethanethiol, 1-Phenylethyl mercaptan, phenylethanethiol
| Molecular Formula | C8H10S |
|---|---|
| Molecular Weight | 138.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.05032 |
| Heavy Atoms | 9 |
| Complexity | 74.0 |
| Density | 1.017-1.021 |
| Solubility | Insoluble in water |
| Refractive Index | 1.579-1.585 |
Chemical Identifiers
| CAS Number | 33877-16-6 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)S |
| InChIKey | QZZBJCFNHPYNKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Α-甲基苯甲硫醇 (CAS 33877-16-6), with molecular formula C8H10S and molecular weight 138.05 g/mol. IUPAC: 1-phenylethanethiol.
Chemical Property Profile of Α-甲基苯甲硫醇
Property Insights of Α-甲基苯甲硫醇
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Α-甲基苯甲硫醇. With a topological polar surface area (TPSA) of 1.0 Ų, Α-甲基苯甲硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Α-甲基苯甲硫醇 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
Frequently Asked Questions
What is the CAS number of Α-甲基苯甲硫醇?
The CAS number of Α-甲基苯甲硫醇 is 33877-16-6.
What is the molecular formula of Α-甲基苯甲硫醇?
The molecular formula of Α-甲基苯甲硫醇 is C8H10S.
What is the molecular weight of Α-甲基苯甲硫醇?
The molecular weight of Α-甲基苯甲硫醇 is 138.05 g/mol.
Where can I buy Α-甲基苯甲硫醇?
You can request a quote for Α-甲基苯甲硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Α-甲基苯甲硫醇?
Yes, KEHONG BIO provides custom synthesis services for Α-甲基苯甲硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.