Dimethyl isothiocyanatosuccinate
dimethyl 2-isothiocyanatobutanedioate
Also Known As: Dimethyl isothiocyanatosuccinate|Dimethyl L-isothiocyanatosuccinate|Dimethyl 2-isothiocyanatosuccinate|dimethyl 2-isothiocyanatobutanedioate|dimethyl N-(thioxomethylene)aspartate|1,4-dimethyl 2-isothiocyanatobutanedioate|Dimethyl 2-isothiocyanatosuccinate #|dimethyl (2S)-2-isothiocyanatobutanedioate|aspartic acid, N-carbonothioyl-, dimethyl ester|Succinic acid, isothiocyanato-, dimethyl ester
| Molecular Formula | C7H9NO4S |
|---|---|
| Molecular Weight | 203.02522 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 203.02522 |
| Monoisotopic Mass | 203.02522 |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 21055-49-2 |
|---|---|
| SMILES | COC(=O)CC(C(=O)OC)N=C=S |
| InChIKey | NWHDEBYHAZNXDQ-UHFFFAOYSA-N |
Product Overview
Dimethyl isothiocyanatosuccinate (CAS 21055-49-2), with molecular formula C7H9NO4S and molecular weight 203.02522 g/mol. IUPAC: dimethyl 2-isothiocyanatobutanedioate.
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