IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
1-Propene, 1-(methylthio)-
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017103
Phytochemical name:
1-Propene, 1-(methylthio)-
Synonymous chemical names:
1-propene,1-(methyl thio), 1-propene,1-(methylthio), 1-propene,1-(methylthio)-, 1-propene,1-methylthio
External chemical identifiers:
CID:142629
Chemical structure information
SMILES:
CSC=CC
InChI:
InChI=1S/C4H8S/c1-3-4-5-2/h3-4H,1-2H3
InChIKey:
YJOGCMRDEUBRJD-UHFFFAOYSA-N
DeepSMILES:
CSC=CC
Functional groups:
CC=CSC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organosulfur compounds
ClassyFire Class:
Thioethers
ClassyFire Subclass:
Thioenol ethers
NP-Likeness score:
1.918
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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