Benzene, (3-butenylsulfinyl)-
TL;DR: Benzene, (3-butenylsulfinyl)- (CAS 102201-76-3) is a chemical compound with molecular formula C10H12OS and molecular weight 180.06088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-3-enylsulfinylbenzene
Also Known As: but-3-enylsulfinylbenzene, Benzene, (3-butenylsulfinyl)-, (3-Butenylsulfinyl)benzene, Phenyl 3-butenyl sulfoxide, Benzene,(3-butenylsulfinyl)
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12OS |
| Molecular Weight | 180.06088 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.06088 Da |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
| SMILES | C=CCCS(=O)C1=CC=CC=C1 |
| InChIKey | ZMYLJZXLHPOVJV-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, (3-butenylsulfinyl)-
Property Insights of Benzene, (3-butenylsulfinyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, (3-butenylsulfinyl)-. With a topological polar surface area (TPSA) of 36.3 Ų, Benzene, (3-butenylsulfinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (3-butenylsulfinyl)- 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 Benzene, (3-butenylsulfinyl)-?
The CAS number of Benzene, (3-butenylsulfinyl)- is 102201-76-3.
What is the molecular formula of Benzene, (3-butenylsulfinyl)-?
The molecular formula of Benzene, (3-butenylsulfinyl)- is C10H12OS.
What is the molecular weight of Benzene, (3-butenylsulfinyl)-?
The molecular weight of Benzene, (3-butenylsulfinyl)- is 180.06088 g/mol.
Where can I buy Benzene, (3-butenylsulfinyl)-?
You can request a quote for Benzene, (3-butenylsulfinyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, (3-butenylsulfinyl)-?
Yes, CoreyChem provides custom synthesis services for Benzene, (3-butenylsulfinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.