Benzene,1-butoxy-2-isothiocyanato-
TL;DR: Benzene,1-butoxy-2-isothiocyanato- (CAS 141184-30-7) is a chemical compound with molecular formula C11H13NOS and molecular weight 207.0718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butoxy-2-isothiocyanatobenzene
Also Known As: 1-butoxy-2-isothiocyanatobenzene, butoxyphenylisothiocyanate, Benzene,1-butoxy-2-isothiocyanato-, 1-butoxy-2-isothiocyanato-benzene, Benzene,1-butoxy-2-isothiocyanato
Technical Specifications
| Molecular Formula | C11H13NOS |
| Molecular Weight | 207.0718 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 53.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.0718 Da |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
| SMILES | CCCCOC1=CC=CC=C1N=C=S |
| InChIKey | ZNRKBBLPUOWVQZ-UHFFFAOYSA-N |
Chemical Property Profile of Benzene,1-butoxy-2-isothiocyanato-
Property Insights of Benzene,1-butoxy-2-isothiocyanato-
The XLogP value of 4.5 indicates that Benzene,1-butoxy-2-isothiocyanato- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.7 Ų, Benzene,1-butoxy-2-isothiocyanato- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene,1-butoxy-2-isothiocyanato- has 0 hydrogen bond donor(s) and 3 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,1-butoxy-2-isothiocyanato-?
The CAS number of Benzene,1-butoxy-2-isothiocyanato- is 141184-30-7.
What is the molecular formula of Benzene,1-butoxy-2-isothiocyanato-?
The molecular formula of Benzene,1-butoxy-2-isothiocyanato- is C11H13NOS.
What is the molecular weight of Benzene,1-butoxy-2-isothiocyanato-?
The molecular weight of Benzene,1-butoxy-2-isothiocyanato- is 207.0718 g/mol.
Where can I buy Benzene,1-butoxy-2-isothiocyanato-?
You can request a quote for Benzene,1-butoxy-2-isothiocyanato- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene,1-butoxy-2-isothiocyanato-?
Yes, CoreyChem provides custom synthesis services for Benzene,1-butoxy-2-isothiocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.