3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL
TL;DR: 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL (CAS 100929-92-8) is a chemical compound with molecular formula C12H20N3O2S and molecular weight 270.12762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: 3-(2-isothiocyanatoethylcarbamoyl)-proxyl, N-(2-isothiocyanatoethyl)-1-, N-(2-isothiocyanatoethyl)-1-$l^{1}, (3R)-1-hydroxy-N-(2-isothiocyanatoethyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide, 631-175-7
Technical Specifications
| Molecular Formula | C12H20N3O2S |
| Molecular Weight | 270.12762 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.12762 Da |
| Heavy Atoms | 18 |
| Complexity | 376.0 |
| SMILES | CC1(CC(C(N1[O])(C)C)C(=O)NCCN=C=S)C |
| InChIKey | CRFVJTJETUHQIB-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL
Property Insights of 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL. Following Lipinski's Rule of Five, 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL?
The CAS number of 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL is 100929-92-8.
What is the molecular formula of 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL?
The molecular formula of 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL is C12H20N3O2S.
What is the molecular weight of 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL?
The molecular weight of 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL is 270.12762 g/mol.
Where can I buy 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL?
You can request a quote for 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL?
Yes, CoreyChem provides custom synthesis services for 3-(2-Isothiocyanatoethylcarbamoyl)-PROXYL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.