methyl (2R)-2-isothiocyanato-3-methylbutanoate
TL;DR: methyl (2R)-2-isothiocyanato-3-methylbutanoate (CAS 1263361-47-2) is a chemical compound with molecular formula C7H11NO2S and molecular weight 173.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R)-2-isothiocyanato-3-methylbutanoate
Also Known As: methyl (2R)-2-isothiocyanato-3-methylbutanoate, Methyl 2-isothiocyanato-3-methylbutanoate, methyl(2R)-2-isothiocyanato-3-methylbutanoate
Technical Specifications
| Molecular Formula | C7H11NO2S |
| Molecular Weight | 173.05106 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 70.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.05106 Da |
| Heavy Atoms | 11 |
| Complexity | 185.0 |
| SMILES | CC(C)[C@H](C(=O)OC)N=C=S |
| InChIKey | MFTMQIVHQZBFTC-ZCFIWIBFSA-N |
Chemical Property Profile of methyl (2R)-2-isothiocyanato-3-methylbutanoate
Property Insights of methyl (2R)-2-isothiocyanato-3-methylbutanoate
The XLogP value of 3.1 indicates that methyl (2R)-2-isothiocyanato-3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2R)-2-isothiocyanato-3-methylbutanoate. Following Lipinski's Rule of Five, methyl (2R)-2-isothiocyanato-3-methylbutanoate has 0 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 methyl (2R)-2-isothiocyanato-3-methylbutanoate?
The CAS number of methyl (2R)-2-isothiocyanato-3-methylbutanoate is 1263361-47-2.
What is the molecular formula of methyl (2R)-2-isothiocyanato-3-methylbutanoate?
The molecular formula of methyl (2R)-2-isothiocyanato-3-methylbutanoate is C7H11NO2S.
What is the molecular weight of methyl (2R)-2-isothiocyanato-3-methylbutanoate?
The molecular weight of methyl (2R)-2-isothiocyanato-3-methylbutanoate is 173.05106 g/mol.
Where can I buy methyl (2R)-2-isothiocyanato-3-methylbutanoate?
You can request a quote for methyl (2R)-2-isothiocyanato-3-methylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl (2R)-2-isothiocyanato-3-methylbutanoate?
Yes, CoreyChem provides custom synthesis services for methyl (2R)-2-isothiocyanato-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.