Phenyl thioxochloroformate
TL;DR: Phenyl thioxochloroformate (CAS 1005-56-7) is a chemical compound with molecular formula C7H5ClOS and molecular weight 171.97496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-phenyl chloromethanethioate
Also Known As: Phenyl chlorothionoformate, O-Phenyl Carbonochloridothioate, O-Phenyl chlorothioformate, Phenyl chlorothionocarbonate, Phenyl chlorothioformate
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5ClOS |
| Molecular Weight | 171.97496 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.97496 Da |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
| SMILES | C1=CC=C(C=C1)OC(=S)Cl |
| InChIKey | KOSYAAIZOGNATQ-UHFFFAOYSA-N |
Chemical Property Profile of Phenyl thioxochloroformate
Property Insights of Phenyl thioxochloroformate
The XLogP value of 3.3 indicates that Phenyl thioxochloroformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, Phenyl thioxochloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl thioxochloroformate 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
What is the CAS number of Phenyl thioxochloroformate?
The CAS number of Phenyl thioxochloroformate is 1005-56-7.
What is the molecular formula of Phenyl thioxochloroformate?
The molecular formula of Phenyl thioxochloroformate is C7H5ClOS.
What is the molecular weight of Phenyl thioxochloroformate?
The molecular weight of Phenyl thioxochloroformate is 171.97496 g/mol.
Where can I buy Phenyl thioxochloroformate?
You can request a quote for Phenyl thioxochloroformate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenyl thioxochloroformate?
Yes, CoreyChem provides custom synthesis services for Phenyl thioxochloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.