4-(3-Methylbutyl)benzene-1-sulfonyl chloride
TL;DR: 4-(3-Methylbutyl)benzene-1-sulfonyl chloride (CAS 121042-48-6) is a chemical compound with molecular formula C11H15ClO2S and molecular weight 246.04813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-methylbutyl)benzenesulfonyl chloride
Also Known As: 4-(3-methylbutyl)benzene-1-sulfonyl chloride, 4-(3-methylbutyl)benzenesulfonyl Chloride, 4-isopentylbenzenesulfonyl chloride, Benzenesulfonyl chloride, 4-(3-methylbutyl)-, 4-(3-methylbutyl)benzene-1-sulfonylchloride
Technical Specifications
| Molecular Formula | C11H15ClO2S |
| Molecular Weight | 246.04813 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.04813 Da |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
| SMILES | CC(C)CCC1=CC=C(C=C1)S(=O)(=O)Cl |
| InChIKey | TZWTVBUSXZKFLW-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Methylbutyl)benzene-1-sulfonyl chloride
Property Insights of 4-(3-Methylbutyl)benzene-1-sulfonyl chloride
The XLogP value of 3.9 indicates that 4-(3-Methylbutyl)benzene-1-sulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 4-(3-Methylbutyl)benzene-1-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Methylbutyl)benzene-1-sulfonyl chloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(3-Methylbutyl)benzene-1-sulfonyl chloride?
The CAS number of 4-(3-Methylbutyl)benzene-1-sulfonyl chloride is 121042-48-6.
What is the molecular formula of 4-(3-Methylbutyl)benzene-1-sulfonyl chloride?
The molecular formula of 4-(3-Methylbutyl)benzene-1-sulfonyl chloride is C11H15ClO2S.
What is the molecular weight of 4-(3-Methylbutyl)benzene-1-sulfonyl chloride?
The molecular weight of 4-(3-Methylbutyl)benzene-1-sulfonyl chloride is 246.04813 g/mol.
Where can I buy 4-(3-Methylbutyl)benzene-1-sulfonyl chloride?
You can request a quote for 4-(3-Methylbutyl)benzene-1-sulfonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Methylbutyl)benzene-1-sulfonyl chloride?
Yes, CoreyChem provides custom synthesis services for 4-(3-Methylbutyl)benzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.