Phenyl Chlorodithioformate
TL;DR: Phenyl Chlorodithioformate (CAS 16911-89-0) is a chemical compound with molecular formula C7H5ClS2 and molecular weight 187.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl chloromethanedithioate
Also Known As: Phenyl chlorodithioformate, phenyl chloromethanedithioate, Carbonochloridodithioic acid, phenyl ester, Phenyl carbonochloridodithioate, phenyl(chloro)dithioformate
| Molecular Formula | C7H5ClS2 |
|---|---|
| Molecular Weight | 187.95 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.95212 |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 16911-89-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(=S)Cl |
| InChIKey | XEXIHCWFFNGQDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl Chlorodithioformate (CAS 16911-89-0), with molecular formula C7H5ClS2 and molecular weight 187.95 g/mol. IUPAC: phenyl chloromethanedithioate.
Chemical Property Profile of Phenyl Chlorodithioformate
Property Insights of Phenyl Chlorodithioformate
The XLogP value of 3.9 indicates that Phenyl Chlorodithioformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, Phenyl Chlorodithioformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl Chlorodithioformate 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 Phenyl Chlorodithioformate?
The CAS number of Phenyl Chlorodithioformate is 16911-89-0.
What is the molecular formula of Phenyl Chlorodithioformate?
The molecular formula of Phenyl Chlorodithioformate is C7H5ClS2.
What is the molecular weight of Phenyl Chlorodithioformate?
The molecular weight of Phenyl Chlorodithioformate is 187.95 g/mol.
Where can I buy Phenyl Chlorodithioformate?
You can request a quote for Phenyl Chlorodithioformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl Chlorodithioformate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl Chlorodithioformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.