IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Methyl cis-1-propenyl trisulfide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016743
Phytochemical name:
Methyl cis-1-propenyl trisulfide
Synonymous chemical names:
methyl cis-1-propenyl trisulfide
External chemical identifiers:
CID:5352691
,
ZINC:ZINC000033838454
Chemical structure information
SMILES:
CSSS/C=CC
InChI:
InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3-4H,1-2H3/b4-3-
InChIKey:
WPRUFZZPIFLBDG-ARJAWSKDSA-N
DeepSMILES:
CSSS/C=CC
Functional groups:
C/C=CSSSC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organosulfur compounds
ClassyFire Class:
Organic trisulfides
NP-Likeness score:
3.036
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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