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IMPPAT Phytochemical information:
Methyl hydrazine-1-carbohydrazono thioate hydroiodide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY011076
Phytochemical name:
Methyl hydrazine-1-carbohydrazono thioate hydroiodide
Synonymous chemical names:
aliphatics
External chemical identifiers:
CID:9582190
,
MolPort-001-763-683
Chemical structure information
SMILES:
CS/C(=NN)/NN.I
InChI:
InChI=1S/C2H8N4S.HI/c1-7-2(5-3)6-4;/h3-4H2,1H3,(H,5,6);1H
InChIKey:
XLRAKUURQVHNPJ-UHFFFAOYSA-N
DeepSMILES:
CS/C=NN))/NN.I
Functional groups:
CS/C(=NN)NN, I
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic nitrogen compounds
ClassyFire Class:
Organonitrogen compounds
ClassyFire Subclass:
Hydrazines and derivatives
NP Classifier Biosynthetic pathway:
Alkaloids
NP-Likeness score:
-1.256
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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