S-tert-butyl 2-bromobutanethioate
TL;DR: S-tert-butyl 2-bromobutanethioate (CAS 56403-12-4) is a chemical compound with molecular formula C8H15BrOS and molecular weight 238.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-tert-butyl 2-bromobutanethioate
Also Known As: S-tert-butyl 2-bromobutanethioate, S-tert-Butyl-2-bromthiolbutyrat, Butanethioic acid, 2-bromo-, S-(1,1-dimethylethyl) ester, Butanethioic acid,2-bromo-,s-(1,1-dimethylethyl)ester
| Molecular Formula | C8H15BrOS |
|---|---|
| Molecular Weight | 238.00 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.0027 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 56403-12-4 |
|---|---|
| SMILES | CCC(C(=O)SC(C)(C)C)Br |
| InChIKey | AXPHOKJPRKXCPV-UHFFFAOYSA-N |
Product Overview
S-tert-butyl 2-bromobutanethioate (CAS 56403-12-4), with molecular formula C8H15BrOS and molecular weight 238.00 g/mol. IUPAC: S-tert-butyl 2-bromobutanethioate.
Chemical Property Profile of S-tert-butyl 2-bromobutanethioate
Property Insights of S-tert-butyl 2-bromobutanethioate
The XLogP value of 3.4 indicates that S-tert-butyl 2-bromobutanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-tert-butyl 2-bromobutanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-tert-butyl 2-bromobutanethioate 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 S-tert-butyl 2-bromobutanethioate?
The CAS number of S-tert-butyl 2-bromobutanethioate is 56403-12-4.
What is the molecular formula of S-tert-butyl 2-bromobutanethioate?
The molecular formula of S-tert-butyl 2-bromobutanethioate is C8H15BrOS.
What is the molecular weight of S-tert-butyl 2-bromobutanethioate?
The molecular weight of S-tert-butyl 2-bromobutanethioate is 238.00 g/mol.
Where can I buy S-tert-butyl 2-bromobutanethioate?
You can request a quote for S-tert-butyl 2-bromobutanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-tert-butyl 2-bromobutanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-tert-butyl 2-bromobutanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.