Common name
methyl isothiocyanate
Formula
C2H3NS
CAS
556-61-6
IUPAC name
isothiocyanatomethane
SMILES
CN=C=S
INCHI
InChI=1S/C2H3NS/c1-3-2-4/h1H3
Physicochemical Properties
Molecular weight:
Molar refractivity:
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Complexity of system:
Lipophilicity
ALogP:
MLogP:
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Water Solubility
CLogS:
Geometric
PPSA-1:
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RHSA:
RPSA:
Electrostatic
RPCG:
RNCG:
Flexibility
Num. Rot. bonds: 0
Frac. of Rot. bonds:
AgroPAD
Photostability
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Topological
topoRadius:
topoDiameter:
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Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
RDL:
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Gau:
