Chemical Name - Ethyl Isothiocyanate
Mol Weight - 87.1457
Smiles - CCN=C=S
Mol Weight - 87.1457
Smiles - CCN=C=S
| Property Value | |
| Mol Name | Ethyl Isothiocyanate |
| Molweight | 87.1457 |
| Monoisotopic Mass | 87.014269 |
| Clogp | 1.9992 |
| Clogs | -1.423 |
| H Acceptors | 1 |
| Total Surface Area | 84.8 |
| Relative Psa | 0.46592 |
| Polar Surface Area | 44.45 |
| Druglikeness | -5.5395 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Shape Index | 1 |
| Molecular Flexibility | 0.40423 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 3 |
| Basic Nitrogens | 1 |
| Smiles | CCN=C=S |
| InChIKey | InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3 |
| InChI | HBNYJWAFDZLWRS-UHFFFAOYSA-N |
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1 - Ethyl Isothiocyanate
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1 - Ethyl Isothiocyanate
2 - Ethyl Isothiocyanate
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