2-苯乙硫醇
TL;DR: 2-苯乙硫醇 (CAS 4410-99-5) 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.
2-苯乙硫醇
2-phenylethanethiol
Also Known As: 2-Phenylethanethiol, Phenethyl mercaptan, Benzeneethanethiol, 2-Phenylethyl mercaptan, Phenylethyl mercaptan
| Molecular Formula | C8H10S |
|---|---|
| Molecular Weight | 138.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.05032 |
| Heavy Atoms | 9 |
| Complexity | 65.0 |
| Boiling Point | 217.00 to 218.00 °C. @ 760.00 mm Hg |
| Density | 1.027-1.037 |
| Solubility | insoluble in water, soluble in ethanol, triacetin and heptane |
| Refractive Index | 1.560-1.615 |
Chemical Identifiers
| CAS Number | 4410-99-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCS |
| InChIKey | ZMRFRBHYXOQLDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苯乙硫醇 (CAS 4410-99-5), with molecular formula C8H10S and molecular weight 138.05 g/mol. IUPAC: 2-phenylethanethiol.
Chemical Property Profile of 2-苯乙硫醇
Property Insights of 2-苯乙硫醇
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-苯乙硫醇. With a topological polar surface area (TPSA) of 1.0 Ų, 2-苯乙硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-苯乙硫醇 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 2-苯乙硫醇?
The CAS number of 2-苯乙硫醇 is 4410-99-5.
What is the molecular formula of 2-苯乙硫醇?
The molecular formula of 2-苯乙硫醇 is C8H10S.
What is the molecular weight of 2-苯乙硫醇?
The molecular weight of 2-苯乙硫醇 is 138.05 g/mol.
Where can I buy 2-苯乙硫醇?
You can request a quote for 2-苯乙硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苯乙硫醇?
Yes, KEHONG BIO provides custom synthesis services for 2-苯乙硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.