| Weight | 159.21 g/mol |
|---|---|
| Formula | C6H9NO2S |
| Hydrogen Acceptors | 4 |
| Hydrogen Donors | 0 |
| Aromatic Rings | 0 |
| Rotatable Bonds | 4 |
methyl 4-isothiocyanatobutanoate (62210-26-8)
62210-26-8
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 62210-26-8
-
SMILESCOC(=O)CCCN=C=S
-
InChIKeyRIAAMQLODIETQE-UHFFFAOYSA-N
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Safety
Alternate Names
Estimated Properties
| Boiling Point | 227.13 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 225.39 C | EPI Suite |
| Density | 1.03 g/cm3 | EPA T.E.S.T. |
| Flash Point | 100.83 C | EPA T.E.S.T. |
| Melting Point | 19.8 C | EPI Suite |
| Water Solubility | 222.5 mg/L | EPA T.E.S.T. |
| Water Solubility | 2919.2 mg/L | EPI Suite |
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