IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Methyl propenyl disulfide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY006407
Phytochemical name:
Methyl propenyl disulfide
Synonymous chemical names:
disulfide, methyl 1-propenyl, methyl-1-propenyl disulphide
External chemical identifiers:
CID:5366552
,
ZINC:ZINC000005371734
,
FDASRS:U35908447Y
,
SureChEMBL:SCHEMBL3505599
Chemical structure information
SMILES:
CSS/C=C/C
InChI:
InChI=1S/C4H8S2/c1-3-4-6-5-2/h3-4H,1-2H3/b4-3+
InChIKey:
FUDUFCLRGSEHAJ-ONEGZZNKSA-N
DeepSMILES:
CSS/C=C/C
Functional groups:
C/C=C/SSC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organosulfur compounds
ClassyFire Class:
Organic disulfides
NP-Likeness score:
2.767
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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