Pentachlorothiophenol
TL;DR: Pentachlorothiophenol (CAS 133-49-3) is a chemical compound with molecular formula C6HCl5S and molecular weight 279.82416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,4,5,6-pentachlorobenzenethiol
Also Known As: PENTACHLOROTHIOPHENOL, Pentachlorobenzenethiol, Pentachlorthiofenol, Benzenethiol, pentachloro-, PCTP
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6HCl5S |
| Molecular Weight | 279.82416 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.8212 Da |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| Melting Point | 231.5 °C |
| Flash Point | >300 °C closed cup |
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S |
| InChIKey | LLMLGZUZTFMXSA-UHFFFAOYSA-N |
Product Description
Applications: Pentachlorothiophenol is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Pentachlorothiophenol is a polymer intermediate identified by CAS number 133-49-3 and the molecular formula C6HCl5S and a molecular weight of 279.82 g/mol. Synonyms include PENTACHLOROTHIOPHENOL and Pentachlorobenzenethiol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Pentachlorothiophenol
Property Insights of Pentachlorothiophenol
The XLogP value of 5.2 indicates that Pentachlorothiophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, Pentachlorothiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachlorothiophenol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pentachlorothiophenol?
The CAS number of Pentachlorothiophenol is 133-49-3.
What is the molecular formula of Pentachlorothiophenol?
The molecular formula of Pentachlorothiophenol is C6HCl5S.
What is the molecular weight of Pentachlorothiophenol?
The molecular weight of Pentachlorothiophenol is 279.82416 g/mol.
What are the applications of Pentachlorothiophenol?
Pentachlorothiophenol is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to...
Where can I buy Pentachlorothiophenol?
You can request a quote for Pentachlorothiophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentachlorothiophenol?
Yes, CoreyChem provides custom synthesis services for Pentachlorothiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.