1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene
TL;DR: 1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene (CAS 5921-61-9) is a chemical compound with molecular formula C8H9Cl5S and molecular weight 311.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene
Also Known As: Sulfide, tert-butyl pentachloro-1,3-butadienyl
| Molecular Formula | C8H9Cl5S |
|---|---|
| Molecular Weight | 311.89 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.88675 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 5921-61-9 |
|---|---|
| SMILES | CC(C)(C)SC(=C(C(=C(Cl)Cl)Cl)Cl)Cl |
| InChIKey | QYQSJXCKVHEKHH-UHFFFAOYSA-N |
Product Overview
1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene (CAS 5921-61-9), with molecular formula C8H9Cl5S and molecular weight 311.89 g/mol. IUPAC: 1-tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene.
Chemical Property Profile of 1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene
Property Insights of 1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene
The XLogP value of 5.8 indicates that 1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene 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-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene 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-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene?
The CAS number of 1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene is 5921-61-9.
What is the molecular formula of 1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene?
The molecular formula of 1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene is C8H9Cl5S.
What is the molecular weight of 1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene?
The molecular weight of 1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene is 311.89 g/mol.
Where can I buy 1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene?
You can request a quote for 1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butylsulfanyl-1,2,3,4,4-pentachlorobuta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.