3,4-dichlorobenzenecarbothioic S-acid
TL;DR: 3,4-dichlorobenzenecarbothioic S-acid (CAS 36504-44-6) is a chemical compound with molecular formula C7H4Cl2OS and molecular weight 205.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichlorobenzenecarbothioic S-acid
Also Known As: 3,4-dichlorobenzenecarbothioic S-acid, 3,4-Dichlorobenzene-1-carbothioic S-acid
| Molecular Formula | C7H4Cl2OS |
|---|---|
| Molecular Weight | 205.94 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.93599 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 36504-44-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)S)Cl)Cl |
| InChIKey | OVVJBTKDAFOUBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-dichlorobenzenecarbothioic S-acid (CAS 36504-44-6), with molecular formula C7H4Cl2OS and molecular weight 205.94 g/mol. IUPAC: 3,4-dichlorobenzenecarbothioic S-acid.
Chemical Property Profile of 3,4-dichlorobenzenecarbothioic S-acid
Property Insights of 3,4-dichlorobenzenecarbothioic S-acid
The XLogP value of 4.0 indicates that 3,4-dichlorobenzenecarbothioic S-acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.1 Ų, 3,4-dichlorobenzenecarbothioic S-acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dichlorobenzenecarbothioic S-acid has 1 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 3,4-dichlorobenzenecarbothioic S-acid?
The CAS number of 3,4-dichlorobenzenecarbothioic S-acid is 36504-44-6.
What is the molecular formula of 3,4-dichlorobenzenecarbothioic S-acid?
The molecular formula of 3,4-dichlorobenzenecarbothioic S-acid is C7H4Cl2OS.
What is the molecular weight of 3,4-dichlorobenzenecarbothioic S-acid?
The molecular weight of 3,4-dichlorobenzenecarbothioic S-acid is 205.94 g/mol.
Where can I buy 3,4-dichlorobenzenecarbothioic S-acid?
You can request a quote for 3,4-dichlorobenzenecarbothioic S-acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dichlorobenzenecarbothioic S-acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichlorobenzenecarbothioic S-acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.