s-Methyl 2,2-dimethylpropanethioate
TL;DR: s-Methyl 2,2-dimethylpropanethioate (CAS 31172-08-4) is a chemical compound with molecular formula C6H12OS and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl 2,2-dimethylpropanethioate
Also Known As: S-methyl thiopivaloate, Methyl-pivaloyl-disulfid, s-methyl 2,2-dimethylpropanethioate, bis(2-bromophenyl)phosphinic acid, s-methyl 2,2-dimethylthiopropionate
| Molecular Formula | C6H12OS |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 132.06088 |
| Heavy Atoms | 8 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 31172-08-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)SC |
| InChIKey | WJBZAGQFQHZMCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
s-Methyl 2,2-dimethylpropanethioate (CAS 31172-08-4), with molecular formula C6H12OS and molecular weight 132.06 g/mol. IUPAC: S-methyl 2,2-dimethylpropanethioate.
Chemical Property Profile of s-Methyl 2,2-dimethylpropanethioate
Property Insights of s-Methyl 2,2-dimethylpropanethioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s-Methyl 2,2-dimethylpropanethioate. With a topological polar surface area (TPSA) of 42.4 Ų, s-Methyl 2,2-dimethylpropanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Methyl 2,2-dimethylpropanethioate 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-Methyl 2,2-dimethylpropanethioate?
The CAS number of s-Methyl 2,2-dimethylpropanethioate is 31172-08-4.
What is the molecular formula of s-Methyl 2,2-dimethylpropanethioate?
The molecular formula of s-Methyl 2,2-dimethylpropanethioate is C6H12OS.
What is the molecular weight of s-Methyl 2,2-dimethylpropanethioate?
The molecular weight of s-Methyl 2,2-dimethylpropanethioate is 132.06 g/mol.
Where can I buy s-Methyl 2,2-dimethylpropanethioate?
You can request a quote for s-Methyl 2,2-dimethylpropanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Methyl 2,2-dimethylpropanethioate?
Yes, KEHONG BIO provides custom synthesis services for s-Methyl 2,2-dimethylpropanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.