(2,3,4,5,6-Pentachlorophenyl)methanethiol
TL;DR: (2,3,4,5,6-Pentachlorophenyl)methanethiol (CAS 7139-87-9) is a chemical compound with molecular formula C7H3Cl5S and molecular weight 293.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl)methanethiol
Also Known As: (pentachlorophenyl)methanethiol, (2,3,4,5,6-pentachlorophenyl)methanethiol
| Molecular Formula | C7H3Cl5S |
|---|---|
| Molecular Weight | 293.84 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.8398 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 7139-87-9 |
|---|---|
| SMILES | C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S |
| InChIKey | PMJSBVNTLUFLPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,3,4,5,6-Pentachlorophenyl)methanethiol (CAS 7139-87-9), with molecular formula C7H3Cl5S and molecular weight 293.84 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl)methanethiol.
Chemical Property Profile of (2,3,4,5,6-Pentachlorophenyl)methanethiol
Property Insights of (2,3,4,5,6-Pentachlorophenyl)methanethiol
The XLogP value of 5.1 indicates that (2,3,4,5,6-Pentachlorophenyl)methanethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, (2,3,4,5,6-Pentachlorophenyl)methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,3,4,5,6-Pentachlorophenyl)methanethiol 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 (2,3,4,5,6-Pentachlorophenyl)methanethiol?
The CAS number of (2,3,4,5,6-Pentachlorophenyl)methanethiol is 7139-87-9.
What is the molecular formula of (2,3,4,5,6-Pentachlorophenyl)methanethiol?
The molecular formula of (2,3,4,5,6-Pentachlorophenyl)methanethiol is C7H3Cl5S.
What is the molecular weight of (2,3,4,5,6-Pentachlorophenyl)methanethiol?
The molecular weight of (2,3,4,5,6-Pentachlorophenyl)methanethiol is 293.84 g/mol.
Where can I buy (2,3,4,5,6-Pentachlorophenyl)methanethiol?
You can request a quote for (2,3,4,5,6-Pentachlorophenyl)methanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,3,4,5,6-Pentachlorophenyl)methanethiol?
Yes, KEHONG BIO provides custom synthesis services for (2,3,4,5,6-Pentachlorophenyl)methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.