S-tert-Butyl cyclopropanecarbothioate
TL;DR: S-tert-Butyl cyclopropanecarbothioate (CAS 58058-56-3) is a chemical compound with molecular formula C8H14OS and molecular weight 158.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-tert-butyl cyclopropanecarbothioate
Also Known As: S-tert-butyl cyclopropanecarbothioate, Cyclopropyl-tert-butylsulfanyl-methanone, RefChem:379622
| Molecular Formula | C8H14OS |
|---|---|
| Molecular Weight | 158.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.07654 |
| Heavy Atoms | 10 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 58058-56-3 |
|---|---|
| SMILES | CC(C)(C)SC(=O)C1CC1 |
| InChIKey | WGDFGIWLKSWMHW-UHFFFAOYSA-N |
Product Overview
S-tert-Butyl cyclopropanecarbothioate (CAS 58058-56-3), with molecular formula C8H14OS and molecular weight 158.08 g/mol. IUPAC: S-tert-butyl cyclopropanecarbothioate.
Chemical Property Profile of S-tert-Butyl cyclopropanecarbothioate
Property Insights of S-tert-Butyl cyclopropanecarbothioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-tert-Butyl cyclopropanecarbothioate. With a topological polar surface area (TPSA) of 42.4 Ų, S-tert-Butyl cyclopropanecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-tert-Butyl cyclopropanecarbothioate 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 cyclopropanecarbothioate?
The CAS number of S-tert-Butyl cyclopropanecarbothioate is 58058-56-3.
What is the molecular formula of S-tert-Butyl cyclopropanecarbothioate?
The molecular formula of S-tert-Butyl cyclopropanecarbothioate is C8H14OS.
What is the molecular weight of S-tert-Butyl cyclopropanecarbothioate?
The molecular weight of S-tert-Butyl cyclopropanecarbothioate is 158.08 g/mol.
Where can I buy S-tert-Butyl cyclopropanecarbothioate?
You can request a quote for S-tert-Butyl cyclopropanecarbothioate 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 cyclopropanecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-tert-Butyl cyclopropanecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.