![1-[(2-Bromoethyl)sulfanyl]ethan-1-one structure](/static/products/927/927-70-8.png)
1-[(2-Bromoethyl)sulfanyl]ethan-1-one
TL;DR: 1-[(2-Bromoethyl)sulfanyl]ethan-1-one (CAS 927-70-8) is a chemical compound with molecular formula C4H7BrOS and molecular weight 181.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-bromoethyl) ethanethioate
Also Known As: S-(2-bromoethyl) ethanethioate, 1-[(2-bromoethyl)sulfanyl]ethan-1-one, S-bromoethyl thioacetate, Ethanethioic acid, S-(2-bromoethyl) ester, 2-acetylthioethyl bromide
| Molecular Formula | C4H7BrOS |
|---|---|
| Molecular Weight | 181.94 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.9401 |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 927-70-8 |
|---|---|
| SMILES | CC(=O)SCCBr |
| InChIKey | NYHLAZJBJZRGPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[(2-Bromoethyl)sulfanyl]ethan-1-one (CAS 927-70-8), with molecular formula C4H7BrOS and molecular weight 181.94 g/mol. IUPAC: S-(2-bromoethyl) ethanethioate.
Chemical Property Profile of 1-[(2-Bromoethyl)sulfanyl]ethan-1-one
Property Insights of 1-[(2-Bromoethyl)sulfanyl]ethan-1-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Bromoethyl)sulfanyl]ethan-1-one. With a topological polar surface area (TPSA) of 42.4 Ų, 1-[(2-Bromoethyl)sulfanyl]ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-Bromoethyl)sulfanyl]ethan-1-one 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
Frequently Asked Questions
What is the CAS number of 1-[(2-Bromoethyl)sulfanyl]ethan-1-one?
The CAS number of 1-[(2-Bromoethyl)sulfanyl]ethan-1-one is 927-70-8.
What is the molecular formula of 1-[(2-Bromoethyl)sulfanyl]ethan-1-one?
The molecular formula of 1-[(2-Bromoethyl)sulfanyl]ethan-1-one is C4H7BrOS.
What is the molecular weight of 1-[(2-Bromoethyl)sulfanyl]ethan-1-one?
The molecular weight of 1-[(2-Bromoethyl)sulfanyl]ethan-1-one is 181.94 g/mol.
Where can I buy 1-[(2-Bromoethyl)sulfanyl]ethan-1-one?
You can request a quote for 1-[(2-Bromoethyl)sulfanyl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-Bromoethyl)sulfanyl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Bromoethyl)sulfanyl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.