Thiobenzoic acid S-(3-phenyl-allyl) ester
TL;DR: Thiobenzoic acid S-(3-phenyl-allyl) ester (CAS 102614-59-5) is a chemical compound with molecular formula C16H14OS and molecular weight 254.07654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(3-phenylprop-2-enyl) benzenecarbothioate
Also Known As: Cinnamylsulfanyl-phenyl-methanone, THIOBENZOIC ACID S-(3-PHENYL-ALLYL) ESTER, S-(3-phenylprop-2-enyl) benzenecarbothioate, 682-985-2
Technical Specifications
| Molecular Formula | C16H14OS |
| Molecular Weight | 254.07654 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.07654 Da |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
| SMILES | C1=CC=C(C=C1)C=CCSC(=O)C2=CC=CC=C2 |
| InChIKey | IJEWUMRFIAGMLR-UHFFFAOYSA-N |
Chemical Property Profile of Thiobenzoic acid S-(3-phenyl-allyl) ester
Property Insights of Thiobenzoic acid S-(3-phenyl-allyl) ester
The XLogP value of 4.5 indicates that Thiobenzoic acid S-(3-phenyl-allyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, Thiobenzoic acid S-(3-phenyl-allyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiobenzoic acid S-(3-phenyl-allyl) ester 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 Thiobenzoic acid S-(3-phenyl-allyl) ester?
The CAS number of Thiobenzoic acid S-(3-phenyl-allyl) ester is 102614-59-5.
What is the molecular formula of Thiobenzoic acid S-(3-phenyl-allyl) ester?
The molecular formula of Thiobenzoic acid S-(3-phenyl-allyl) ester is C16H14OS.
What is the molecular weight of Thiobenzoic acid S-(3-phenyl-allyl) ester?
The molecular weight of Thiobenzoic acid S-(3-phenyl-allyl) ester is 254.07654 g/mol.
Where can I buy Thiobenzoic acid S-(3-phenyl-allyl) ester?
You can request a quote for Thiobenzoic acid S-(3-phenyl-allyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thiobenzoic acid S-(3-phenyl-allyl) ester?
Yes, CoreyChem provides custom synthesis services for Thiobenzoic acid S-(3-phenyl-allyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.