![Benzene, [(1-methylheptyl)thio]- structure](/static/products/1392/13921-16-9.webp)
Benzene, [(1-methylheptyl)thio]-
TL;DR: Benzene, [(1-methylheptyl)thio]- (CAS 13921-16-9) is a chemical compound with molecular formula C14H22S and molecular weight 222.14423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octan-2-ylsulfanylbenzene
Also Known As: 2-phenylsulfanyloctane, octan-2-ylsulfanylbenzene, Benzene, [(1-methylheptyl)thio]-, (1-Methylheptyl)phenyl sulfide, Phenyl(1-methylheptyl) sulfide
Technical Specifications
| Molecular Formula | C14H22S |
| Molecular Weight | 222.14423 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.14423 Da |
| Heavy Atoms | 15 |
| Complexity | 138.0 |
| SMILES | CCCCCCC(C)SC1=CC=CC=C1 |
| InChIKey | LMOZXJDYSXPJGF-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, [(1-methylheptyl)thio]-
Property Insights of Benzene, [(1-methylheptyl)thio]-
The XLogP value of 5.7 indicates that Benzene, [(1-methylheptyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, [(1-methylheptyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [(1-methylheptyl)thio]- 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 Benzene, [(1-methylheptyl)thio]-?
The CAS number of Benzene, [(1-methylheptyl)thio]- is 13921-16-9.
What is the molecular formula of Benzene, [(1-methylheptyl)thio]-?
The molecular formula of Benzene, [(1-methylheptyl)thio]- is C14H22S.
What is the molecular weight of Benzene, [(1-methylheptyl)thio]-?
The molecular weight of Benzene, [(1-methylheptyl)thio]- is 222.14423 g/mol.
Where can I buy Benzene, [(1-methylheptyl)thio]-?
You can request a quote for Benzene, [(1-methylheptyl)thio]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, [(1-methylheptyl)thio]-?
Yes, CoreyChem provides custom synthesis services for Benzene, [(1-methylheptyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.