Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride
TL;DR: Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride (CAS 109598-25-6) is a chemical compound with molecular formula C14H20ClNOS and molecular weight 285.0954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-(2-piperidin-1-ium-1-ylethyl) benzenecarbothioate chloride
Also Known As: Thiobenzoic acid O-2-piperidinoethyl ester hydrochloride, BENZOIC ACID, THIO-, O-2-PIPERIDINOETHYL ESTER, HYDROCHLORIDE, 1-{2-[(phenylcarbothioyl)oxy]ethyl}piperidinium chloride, O-(2-piperidin-1-ium-1-ylethyl) benzenecarbothioate chloride
Technical Specifications
| Molecular Formula | C14H20ClNOS |
| Molecular Weight | 285.0954 g/mol |
| XLogP | -1.55 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.0954 Da |
| Heavy Atoms | 18 |
| Complexity | 232.0 |
| SMILES | C1CC[NH+](CC1)CCOC(=S)C2=CC=CC=C2.[Cl-] |
| InChIKey | SRVZRXMUQGNWDJ-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride
Property Insights of Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride
The XLogP value of -1.55 indicates that Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.8 Ų, Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride has 1 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 Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride?
The CAS number of Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride is 109598-25-6.
What is the molecular formula of Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride?
The molecular formula of Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride is C14H20ClNOS.
What is the molecular weight of Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride?
The molecular weight of Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride is 285.0954 g/mol.
Where can I buy Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride?
You can request a quote for Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.