Pentachlorobenzylthiomethanol
TL;DR: Pentachlorobenzylthiomethanol (CAS 74037-63-1) is a chemical compound with molecular formula C8H5Cl5OS and molecular weight 323.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl)methylsulfanylmethanol
Also Known As: Methanol, pentachlorobenzylthio-, Pentachlorobenzylthiomethanol, [ thio]methanol, Hydroxymethylpentachlorobenzyl sulfide, [(pentachlorobenzyl)sulfanyl]methanol
| Molecular Formula | C8H5Cl5OS |
|---|---|
| Molecular Weight | 323.85 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.8474 |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 74037-63-1 |
|---|---|
| SMILES | C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)SCO |
| InChIKey | VMLLIOFVQNIJFU-UHFFFAOYSA-N |
Product Overview
Pentachlorobenzylthiomethanol (CAS 74037-63-1), with molecular formula C8H5Cl5OS and molecular weight 323.85 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl)methylsulfanylmethanol.
Chemical Property Profile of Pentachlorobenzylthiomethanol
Property Insights of Pentachlorobenzylthiomethanol
The XLogP value of 4.9 indicates that Pentachlorobenzylthiomethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, Pentachlorobenzylthiomethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachlorobenzylthiomethanol 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 Pentachlorobenzylthiomethanol?
The CAS number of Pentachlorobenzylthiomethanol is 74037-63-1.
What is the molecular formula of Pentachlorobenzylthiomethanol?
The molecular formula of Pentachlorobenzylthiomethanol is C8H5Cl5OS.
What is the molecular weight of Pentachlorobenzylthiomethanol?
The molecular weight of Pentachlorobenzylthiomethanol is 323.85 g/mol.
Where can I buy Pentachlorobenzylthiomethanol?
You can request a quote for Pentachlorobenzylthiomethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachlorobenzylthiomethanol?
Yes, KEHONG BIO provides custom synthesis services for Pentachlorobenzylthiomethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.