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2D Structure

Ethyl Isothiocyanate


  • SKU Code: CH138453
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Chemical Name - Ethyl Isothiocyanate
Mol Weight - 87.1457
Smiles - CCN=C=S
Property Name Property Value
Mol NameEthyl Isothiocyanate
Molweight87.1457
Monoisotopic Mass87.014269
Clogp1.9992
Clogs-1.423
H Acceptors1
Total Surface Area84.8
Relative Psa0.46592
Polar Surface Area44.45
Druglikeness-5.5395
Mutagenichigh
Tumorigeniclow
Reproductive Effectivelow
Irritantnone
Shape Index1
Molecular Flexibility0.40423
Molecular Complexity0.54931
Fragments1
Non H Atoms5
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Sp3 Atoms3
Basic Nitrogens1
SmilesCCN=C=S
InChIKeyInChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3
InChIHBNYJWAFDZLWRS-UHFFFAOYSA-N

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