Benzyl 2-sulfanylacetate
TL;DR: Benzyl 2-sulfanylacetate (CAS 168030-27-1) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-sulfanylacetate
Also Known As: Mercaptoacetic acid benzyl ester, benzyl 2-sulfanylacetate, Benzyl thioglycolate, benzyl 2-mercaptoacetate, Benzyl mercaptoacetate
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 168030-27-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CS |
| InChIKey | XTCXSNIRIUQZLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2-sulfanylacetate (CAS 168030-27-1), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: benzyl 2-sulfanylacetate.
Chemical Property Profile of Benzyl 2-sulfanylacetate
Property Insights of Benzyl 2-sulfanylacetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-sulfanylacetate. With a topological polar surface area (TPSA) of 27.3 Ų, Benzyl 2-sulfanylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-sulfanylacetate 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
Frequently Asked Questions
What is the CAS number of Benzyl 2-sulfanylacetate?
The CAS number of Benzyl 2-sulfanylacetate is 168030-27-1.
What is the molecular formula of Benzyl 2-sulfanylacetate?
The molecular formula of Benzyl 2-sulfanylacetate is C9H10O2S.
What is the molecular weight of Benzyl 2-sulfanylacetate?
The molecular weight of Benzyl 2-sulfanylacetate is 182.04 g/mol.
Where can I buy Benzyl 2-sulfanylacetate?
You can request a quote for Benzyl 2-sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.