![Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate structure](/static/products/1214/1214138-23-4.webp)
Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate
TL;DR: Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate (CAS 1214138-23-4) is a chemical compound with molecular formula C12H24N2O2S and molecular weight 260.15585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(tert-butylcarbamothioylamino)-3,3-dimethylbutanoate
Also Known As: methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate, methyl 2-[(tert-butylcarbamothioyl)amino]-3,3-dimethylbutanoate, methyl 2-(tert-butylcarbamothioylamino)-3,3-dimethylbutanoate, 4N-043, methyl 2-(tert-butylcarbamothioylamino)-3,3-dimethyl-butanoate
Technical Specifications
| Molecular Formula | C12H24N2O2S |
| Molecular Weight | 260.15585 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.15585 Da |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
| SMILES | CC(C)(C)C(C(=O)OC)NC(=S)NC(C)(C)C |
| InChIKey | DSXONTFWMFCXBB-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate
Property Insights of Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate. Following Lipinski's Rule of Five, Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate?
The CAS number of Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate is 1214138-23-4.
What is the molecular formula of Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate?
The molecular formula of Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate is C12H24N2O2S.
What is the molecular weight of Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate?
The molecular weight of Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate is 260.15585 g/mol.
Where can I buy Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate?
You can request a quote for Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-{[(tert-butylamino)carbothioyl]amino}-3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.