![Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester structure](/static/products/5173/51735-70-7.webp)
Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester
TL;DR: Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester (CAS 51735-70-7) is a chemical compound with molecular formula C16H16O2S and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-benzylsulfanylacetate
Also Known As: benzyl 2-benzylsulfanylacetate, Benzyl (benzylsulfanyl)acetate, Benzyl (benzylsulfanyl)acetate #, Benzylthioacetic acid, benzyl ester, Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester
| Molecular Formula | C16H16O2S |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.0871 |
| Heavy Atoms | 19 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 51735-70-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CSCC2=CC=CC=C2 |
| InChIKey | ZUOUJUSJZRLCQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester (CAS 51735-70-7), with molecular formula C16H16O2S and molecular weight 272.09 g/mol. IUPAC: benzyl 2-benzylsulfanylacetate.
Chemical Property Profile of Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester
Property Insights of Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester
The XLogP value of 3.8 indicates that Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester 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
Frequently Asked Questions
What is the CAS number of Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester?
The CAS number of Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester is 51735-70-7.
What is the molecular formula of Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester?
The molecular formula of Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester is C16H16O2S.
What is the molecular weight of Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester?
The molecular weight of Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester is 272.09 g/mol.
Where can I buy Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester?
You can request a quote for Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [(phenylmethyl)thio]-, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.