Methyl 3-isothiocyanatopropionate
methyl 3-isothiocyanatopropanoate
Also Known As: Methyl 3-isothiocyanatopropionate|Methyl 3-isothiocyanatopropanoate|ACMC-20akh7|Propanoic acid, 3-isothiocyanato-, methyl ester|methyl-3-isothiocyanatopropionate|METHYL3-ISOTHIOCYANATOPROPIONATE|2,4-Dichlorobenzyl isothiocyanate|2-Methoxycarbonylethylisothiocyanate|Methyl 3-isothiocyanatopropanoate #|6385AD|6386AD|Glycine tert butyl ester hydrochloride|FS-5273|3-isothiocyanatopropanoic acid methyl ester|3-isothiocyanatopropionic acid methyl ester|Propanoic acid,3-isothiocyanato-, methyl ester|3-isothiocyanato-propionic acid methyl ester|J1.520.702G|Methyl N-(sulfanylidenemethylidene)-beta-alaninate|I09-2839
| Molecular Formula | C5H7NO2S |
|---|---|
| Molecular Weight | 145.01974 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 145.01974 |
| Monoisotopic Mass | 145.01974 |
| Heavy Atoms | 9 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 18967-41-4 |
|---|---|
| SMILES | COC(=O)CCN=C=S |
| InChIKey | VLIJIUDWAKBKSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-isothiocyanatopropionate (CAS 18967-41-4), with molecular formula C5H7NO2S and molecular weight 145.01974 g/mol. IUPAC: methyl 3-isothiocyanatopropanoate.
Methyl 3-isothiocyanatopropionate is a custom synthesis product. We offer services from milligram to kilogram scale.
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