1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene
TL;DR: 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene (CAS 82044-22-2) is a chemical compound with molecular formula C13H7Cl5S and molecular weight 369.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfanyl-2,3,4,5,6-pentachlorobenzene
Also Known As: NCIOpen2_007610, 1-benzylsulfanyl-2,3,4,5,6-pentachlorobenzene, 1-(benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene
| Molecular Formula | C13H7Cl5S |
|---|---|
| Molecular Weight | 369.87 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.87112 |
| Heavy Atoms | 19 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 82044-22-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl |
| InChIKey | KYUMKYGLPMWORT-UHFFFAOYSA-N |
Product Overview
1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene (CAS 82044-22-2), with molecular formula C13H7Cl5S and molecular weight 369.87 g/mol. IUPAC: 1-benzylsulfanyl-2,3,4,5,6-pentachlorobenzene.
Chemical Property Profile of 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene
Property Insights of 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene
The XLogP value of 7.1 indicates that 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene has 0 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 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene?
The CAS number of 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene is 82044-22-2.
What is the molecular formula of 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene?
The molecular formula of 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene is C13H7Cl5S.
What is the molecular weight of 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene?
The molecular weight of 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene is 369.87 g/mol.
Where can I buy 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene?
You can request a quote for 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzylsulfanyl)-2,3,4,5,6-pentachlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.