4-Mercapto-3-methoxybenzonitrile
TL;DR: 4-Mercapto-3-methoxybenzonitrile (CAS 1024226-61-6) is a chemical compound with molecular formula C8H7NOS and molecular weight 165.02484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methoxy-4-sulfanylbenzonitrile
Also Known As: 4-mercapto-3-methoxybenzonitrile, 3-methoxy-4-sulfanylbenzonitrile, 3-methoxy-4-sulfanyl-benzonitrile, C91011
Technical Specifications
| Molecular Formula | C8H7NOS |
| Molecular Weight | 165.02484 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.02484 Da |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
| SMILES | COC1=C(C=CC(=C1)C#N)S |
| InChIKey | XXJZDWRTSANLRY-UHFFFAOYSA-N |
Chemical Property Profile of 4-Mercapto-3-methoxybenzonitrile
Property Insights of 4-Mercapto-3-methoxybenzonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Mercapto-3-methoxybenzonitrile. With a topological polar surface area (TPSA) of 34.0 Ų, 4-Mercapto-3-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Mercapto-3-methoxybenzonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Mercapto-3-methoxybenzonitrile?
The CAS number of 4-Mercapto-3-methoxybenzonitrile is 1024226-61-6.
What is the molecular formula of 4-Mercapto-3-methoxybenzonitrile?
The molecular formula of 4-Mercapto-3-methoxybenzonitrile is C8H7NOS.
What is the molecular weight of 4-Mercapto-3-methoxybenzonitrile?
The molecular weight of 4-Mercapto-3-methoxybenzonitrile is 165.02484 g/mol.
Where can I buy 4-Mercapto-3-methoxybenzonitrile?
You can request a quote for 4-Mercapto-3-methoxybenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Mercapto-3-methoxybenzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-Mercapto-3-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.