4-Nitrophenyl chlorothioformate
TL;DR: 4-Nitrophenyl chlorothioformate (CAS 1132-69-0) is a chemical compound with molecular formula C7H4ClNO3S and molecular weight 216.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-nitrophenyl) chloromethanethioate
Also Known As: 4-NITROPHENYL CHLOROTHIOFORMATE, Not Available, O-(4-nitrophenyl) chloromethanethioate, 4-Nitrophenyl chlorothionoformate, O-(4-Nitrophenyl) carbonochloridothioate
| Molecular Formula | C7H4ClNO3S |
|---|---|
| Molecular Weight | 216.96 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.96004 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 1132-69-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=S)Cl |
| InChIKey | UHQPEESVLYUICU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl chlorothioformate (CAS 1132-69-0), with molecular formula C7H4ClNO3S and molecular weight 216.96 g/mol. IUPAC: O-(4-nitrophenyl) chloromethanethioate.
Chemical Property Profile of 4-Nitrophenyl chlorothioformate
Property Insights of 4-Nitrophenyl chlorothioformate
The XLogP value of 3.2 indicates that 4-Nitrophenyl chlorothioformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl chlorothioformate. Following Lipinski's Rule of Five, 4-Nitrophenyl chlorothioformate has 0 hydrogen bond donor(s) and 4 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 4-Nitrophenyl chlorothioformate?
The CAS number of 4-Nitrophenyl chlorothioformate is 1132-69-0.
What is the molecular formula of 4-Nitrophenyl chlorothioformate?
The molecular formula of 4-Nitrophenyl chlorothioformate is C7H4ClNO3S.
What is the molecular weight of 4-Nitrophenyl chlorothioformate?
The molecular weight of 4-Nitrophenyl chlorothioformate is 216.96 g/mol.
Where can I buy 4-Nitrophenyl chlorothioformate?
You can request a quote for 4-Nitrophenyl chlorothioformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl chlorothioformate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl chlorothioformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.