IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Allyl methyl tetrasulfide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016510
Phytochemical name:
Allyl methyl tetrasulfide
Synonymous chemical names:
allyl methyl tetrasulfide, allyl methyl tetrasulfide
External chemical identifiers:
CID:525329
,
ZINC:ZINC000014590143
,
SureChEMBL:SCHEMBL2931131
Chemical structure information
SMILES:
C=CCSSSSC
InChI:
InChI=1S/C4H8S4/c1-3-4-6-8-7-5-2/h3H,1,4H2,2H3
InChIKey:
BHIKXWJMZCALEK-UHFFFAOYSA-N
DeepSMILES:
C=CCSSSSC
Functional groups:
C=CC, CSSSSC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organosulfur compounds
ClassyFire Class:
Allyl sulfur compounds
NP-Likeness score:
2.356
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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