Pentachloro((chloromethyl)thio)benzene
TL;DR: Pentachloro((chloromethyl)thio)benzene (CAS 62601-17-6) is a chemical compound with molecular formula C7H2Cl6S and molecular weight 327.80084 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,5-pentachloro-6-(chloromethylsulfanyl)benzene
Also Known As: pentachloro[ thio]benzene, NCIOpen2_008310, Pentachloro((chloromethyl)thio)benzene, chloromethyl pentachlorophenyl sulfide, PENTACHLORO[(CHLOROMETHYL)THIO]BENZENE
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H2Cl6S |
| Molecular Weight | 327.80084 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.79788 Da |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
| SMILES | C(SC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | SEBXHYNSUTYHGW-UHFFFAOYSA-N |
Chemical Property Profile of Pentachloro((chloromethyl)thio)benzene
Property Insights of Pentachloro((chloromethyl)thio)benzene
The XLogP value of 6.3 indicates that Pentachloro((chloromethyl)thio)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Pentachloro((chloromethyl)thio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachloro((chloromethyl)thio)benzene has 0 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 Pentachloro((chloromethyl)thio)benzene?
The CAS number of Pentachloro((chloromethyl)thio)benzene is 62601-17-6.
What is the molecular formula of Pentachloro((chloromethyl)thio)benzene?
The molecular formula of Pentachloro((chloromethyl)thio)benzene is C7H2Cl6S.
What is the molecular weight of Pentachloro((chloromethyl)thio)benzene?
The molecular weight of Pentachloro((chloromethyl)thio)benzene is 327.80084 g/mol.
Where can I buy Pentachloro((chloromethyl)thio)benzene?
You can request a quote for Pentachloro((chloromethyl)thio)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentachloro((chloromethyl)thio)benzene?
Yes, CoreyChem provides custom synthesis services for Pentachloro((chloromethyl)thio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.