butyl 2-isothiocyanatoacetate
butyl 2-isothiocyanatoacetate
CAS: 58511-01-6
| Molecular Formula | C7H11NO2S |
|---|---|
| Molecular Weight | 173.24 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 70.8 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 173.05106 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 58511-01-6 |
|---|---|
| SMILES | CCCCOC(=O)CN=C=S |
| InChIKey | MYYTWKDSPBVFGF-UHFFFAOYSA-N |
📖 Product Overview
butyl 2-isothiocyanatoacetate (CAS: 58511-01-6) is a chemical compound with molecular formula C7H11NO2S and molecular weight 173.24 g/mol. Its IUPAC systematic name is butyl 2-isothiocyanatoacetate.
MYYTWKDSPBVFGF-UHFFFAOYSA-N.
SMILES: CCCCOC(=O)CN=C=S.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Frequently Asked Questions
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What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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📚 Academic Support
Scientific research papers and technical documentation supporting this product for informed procurement decisions.
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