苯乙硫代酸
TL;DR: 苯乙硫代酸 (CAS 62167-00-4) is a chemical compound with molecular formula C8H8OS and molecular weight 152.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯乙硫代酸
2-phenylethanethioic S-acid
Also Known As: benzeneethanethioic acid, Phenylthioacetate, PHENYLTHIOACETIC ACID, Phenyl thioacetic acid, 2-phenylethanethioic S-acid
| Molecular Formula | C8H8OS |
|---|---|
| Molecular Weight | 152.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.02959 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 62167-00-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)S |
| InChIKey | IXOFPUCWZCAFJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯乙硫代酸 (CAS 62167-00-4), with molecular formula C8H8OS and molecular weight 152.03 g/mol. IUPAC: 2-phenylethanethioic S-acid.
Chemical Property Profile of 苯乙硫代酸
Property Insights of 苯乙硫代酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯乙硫代酸. With a topological polar surface area (TPSA) of 18.1 Ų, 苯乙硫代酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯乙硫代酸 has 1 hydrogen bond donor(s) and 2 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 苯乙硫代酸?
The CAS number of 苯乙硫代酸 is 62167-00-4.
What is the molecular formula of 苯乙硫代酸?
The molecular formula of 苯乙硫代酸 is C8H8OS.
What is the molecular weight of 苯乙硫代酸?
The molecular weight of 苯乙硫代酸 is 152.03 g/mol.
Where can I buy 苯乙硫代酸?
You can request a quote for 苯乙硫代酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯乙硫代酸?
Yes, KEHONG BIO provides custom synthesis services for 苯乙硫代酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.