4-Methoxybenzenecarbothialdehyde
TL;DR: 4-Methoxybenzenecarbothialdehyde (CAS 25332-53-0) 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.
4-methoxythiobenzaldehyde
Also Known As: 4-methoxybenzenecarbothialdehyde, 4-methoxythiobenzaldehyde, 4-Methoxybenzothialdehyde, 4-Methoxybenzenemethanethione, Benzaldehyde, p-methoxythio-
| Molecular Formula | C8H8OS |
|---|---|
| Molecular Weight | 152.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.02959 |
| Heavy Atoms | 10 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 25332-53-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=S |
| InChIKey | PSCGHQRKTJYCJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxybenzenecarbothialdehyde (CAS 25332-53-0), with molecular formula C8H8OS and molecular weight 152.03 g/mol. IUPAC: 4-methoxythiobenzaldehyde.
Chemical Property Profile of 4-Methoxybenzenecarbothialdehyde
Property Insights of 4-Methoxybenzenecarbothialdehyde
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxybenzenecarbothialdehyde. With a topological polar surface area (TPSA) of 41.3 Ų, 4-Methoxybenzenecarbothialdehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxybenzenecarbothialdehyde has 0 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 4-Methoxybenzenecarbothialdehyde?
The CAS number of 4-Methoxybenzenecarbothialdehyde is 25332-53-0.
What is the molecular formula of 4-Methoxybenzenecarbothialdehyde?
The molecular formula of 4-Methoxybenzenecarbothialdehyde is C8H8OS.
What is the molecular weight of 4-Methoxybenzenecarbothialdehyde?
The molecular weight of 4-Methoxybenzenecarbothialdehyde is 152.03 g/mol.
Where can I buy 4-Methoxybenzenecarbothialdehyde?
You can request a quote for 4-Methoxybenzenecarbothialdehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxybenzenecarbothialdehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxybenzenecarbothialdehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.