五氯苯硫酚
TL;DR: 五氯苯硫酚 (CAS 133-49-3) is a chemical compound with molecular formula C6HCl5S and molecular weight 279.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
五氯苯硫酚
2,3,4,5,6-pentachlorobenzenethiol
Also Known As: PENTACHLOROTHIOPHENOL, Pentachlorobenzenethiol, Pentachlorthiofenol, Benzenethiol, pentachloro-, PCTP
| Molecular Formula | C6HCl5S |
|---|---|
| Molecular Weight | 279.82 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.8212 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| Melting Point | 231.5 °C |
| Flash Point | >300 °C closed cup |
Chemical Identifiers
| CAS Number | 133-49-3 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S |
| InChIKey | LLMLGZUZTFMXSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
五氯苯硫酚 (CAS 133-49-3), with molecular formula C6HCl5S and molecular weight 279.82 g/mol. IUPAC: 2,3,4,5,6-pentachlorobenzenethiol.
Chemical Property Profile of 五氯苯硫酚
Property Insights of 五氯苯硫酚
The XLogP value of 5.2 indicates that 五氯苯硫酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 五氯苯硫酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 五氯苯硫酚 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 五氯苯硫酚?
The CAS number of 五氯苯硫酚 is 133-49-3.
What is the molecular formula of 五氯苯硫酚?
The molecular formula of 五氯苯硫酚 is C6HCl5S.
What is the molecular weight of 五氯苯硫酚?
The molecular weight of 五氯苯硫酚 is 279.82 g/mol.
Where can I buy 五氯苯硫酚?
You can request a quote for 五氯苯硫酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 五氯苯硫酚?
Yes, KEHONG BIO provides custom synthesis services for 五氯苯硫酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.