Methasulfocarb
TL;DR: Methasulfocarb (CAS 66952-49-6) is a chemical compound with molecular formula C9H11NO4S2 and molecular weight 261.01294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(methylcarbamoylsulfanyl)phenyl] methanesulfonate
Also Known As: Methasulfocarb, Kayabest, Methasulfocarb [ISO], 3-Phenylisoquinoline, 4-((Methylcarbamoyl)thio)phenyl methanesulfonate
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11NO4S2 |
| Molecular Weight | 261.01294 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.01294 Da |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
| SMILES | CNC(=O)SC1=CC=C(C=C1)OS(=O)(=O)C |
| InChIKey | IXJOSTZEBSTPAG-UHFFFAOYSA-N |
Chemical Property Profile of Methasulfocarb
Property Insights of Methasulfocarb
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methasulfocarb. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methasulfocarb. Following Lipinski's Rule of Five, Methasulfocarb has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methasulfocarb?
The CAS number of Methasulfocarb is 66952-49-6.
What is the molecular formula of Methasulfocarb?
The molecular formula of Methasulfocarb is C9H11NO4S2.
What is the molecular weight of Methasulfocarb?
The molecular weight of Methasulfocarb is 261.01294 g/mol.
Where can I buy Methasulfocarb?
You can request a quote for Methasulfocarb directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methasulfocarb?
Yes, CoreyChem provides custom synthesis services for Methasulfocarb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.