4-二甲氨基苯硫酚
TL;DR: 4-二甲氨基苯硫酚 (CAS 4946-22-9) is a chemical compound with molecular formula C8H11NS and molecular weight 153.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-二甲氨基苯硫酚
4-(dimethylamino)benzenethiol
Also Known As: 4-(Dimethylamino)thiophenol, 4-(dimethylamino)benzenethiol, p-Dimethylaminobenzenethiol, 4-Dimethylaminobenzenethiol, 4-dimethylaminothiophenol
| Molecular Formula | C8H11NS |
|---|---|
| Molecular Weight | 153.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 4.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.06122 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 4946-22-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)S |
| InChIKey | PQSBRHXGVPVYFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-二甲氨基苯硫酚 (CAS 4946-22-9), with molecular formula C8H11NS and molecular weight 153.06 g/mol. IUPAC: 4-(dimethylamino)benzenethiol.
Chemical Property Profile of 4-二甲氨基苯硫酚
Property Insights of 4-二甲氨基苯硫酚
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-二甲氨基苯硫酚. With a topological polar surface area (TPSA) of 4.2 Ų, 4-二甲氨基苯硫酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-二甲氨基苯硫酚 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 4-二甲氨基苯硫酚?
The CAS number of 4-二甲氨基苯硫酚 is 4946-22-9.
What is the molecular formula of 4-二甲氨基苯硫酚?
The molecular formula of 4-二甲氨基苯硫酚 is C8H11NS.
What is the molecular weight of 4-二甲氨基苯硫酚?
The molecular weight of 4-二甲氨基苯硫酚 is 153.06 g/mol.
Where can I buy 4-二甲氨基苯硫酚?
You can request a quote for 4-二甲氨基苯硫酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-二甲氨基苯硫酚?
Yes, KEHONG BIO provides custom synthesis services for 4-二甲氨基苯硫酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.