2,2-Dimethylpropanethioamide
TL;DR: 2,2-Dimethylpropanethioamide (CAS 630-22-8) is a chemical compound with molecular formula C5H11NS and molecular weight 117.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropanethioamide
Also Known As: 2,2-dimethylpropanethioamide, 2,2-Dimethylthiopropionamide, 2,2,2-Trimethylthioacetamide, thiopivalamide, Dabrafenib Impurity 2
| Molecular Formula | C5H11NS |
|---|---|
| Molecular Weight | 117.06 g/mol |
| LogP | 1.3186 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.06122 |
| Heavy Atoms | 7 |
| Complexity | 80.57117 |
Chemical Identifiers
| CAS Number | 630-22-8 |
|---|---|
| SMILES | CC(C)(C)C(=S)N |
Product Overview
2,2-Dimethylpropanethioamide (CAS 630-22-8), with molecular formula C5H11NS and molecular weight 117.06 g/mol. IUPAC: 2,2-dimethylpropanethioamide.
Chemical Property Profile of 2,2-Dimethylpropanethioamide
Property Insights of 2,2-Dimethylpropanethioamide
The XLogP value of 1.3186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethylpropanethioamide. With a topological polar surface area (TPSA) of 26.02 Ų, 2,2-Dimethylpropanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpropanethioamide has 1 hydrogen bond donor(s) and 1 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 2,2-Dimethylpropanethioamide?
The CAS number of 2,2-Dimethylpropanethioamide is 630-22-8.
What is the molecular formula of 2,2-Dimethylpropanethioamide?
The molecular formula of 2,2-Dimethylpropanethioamide is C5H11NS.
What is the molecular weight of 2,2-Dimethylpropanethioamide?
The molecular weight of 2,2-Dimethylpropanethioamide is 117.06 g/mol.
Where can I buy 2,2-Dimethylpropanethioamide?
You can request a quote for 2,2-Dimethylpropanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylpropanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpropanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.