O-p-Tolyl chlorothioformate
TL;DR: O-p-Tolyl chlorothioformate (CAS 937-63-3) is a chemical compound with molecular formula C8H7ClOS and molecular weight 185.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-methylphenyl) chloromethanethioate
Also Known As: p-Tolyl chlorothionoformate, O-p-Tolyl chlorothioformate, 4-Methylphenyl chlorothioformate, O-4-Methylphenyl chlorothioformate, 4-Tolyl chlorothionoformate
| Molecular Formula | C8H7ClOS |
|---|---|
| Molecular Weight | 185.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.99062 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 937-63-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=S)Cl |
| InChIKey | UNCAXIZUVRKBMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-p-Tolyl chlorothioformate (CAS 937-63-3), with molecular formula C8H7ClOS and molecular weight 185.99 g/mol. IUPAC: O-(4-methylphenyl) chloromethanethioate.
Chemical Property Profile of O-p-Tolyl chlorothioformate
Property Insights of O-p-Tolyl chlorothioformate
The XLogP value of 3.8 indicates that O-p-Tolyl chlorothioformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, O-p-Tolyl chlorothioformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-p-Tolyl chlorothioformate 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 O-p-Tolyl chlorothioformate?
The CAS number of O-p-Tolyl chlorothioformate is 937-63-3.
What is the molecular formula of O-p-Tolyl chlorothioformate?
The molecular formula of O-p-Tolyl chlorothioformate is C8H7ClOS.
What is the molecular weight of O-p-Tolyl chlorothioformate?
The molecular weight of O-p-Tolyl chlorothioformate is 185.99 g/mol.
Where can I buy O-p-Tolyl chlorothioformate?
You can request a quote for O-p-Tolyl chlorothioformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-p-Tolyl chlorothioformate?
Yes, KEHONG BIO provides custom synthesis services for O-p-Tolyl chlorothioformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.