IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Methyl 1-(methylthio)propyl disulfide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017318
Phytochemical name:
Methyl 1-(methylthio)propyl disulfide
Synonymous chemical names:
methyl 1-(methylthio)propyl disulphide
External chemical identifiers:
CID:521472
,
ChEBI:173756
Chemical structure information
SMILES:
CSSC(SC)CC
InChI:
InChI=1S/C5H12S3/c1-4-5(6-2)8-7-3/h5H,4H2,1-3H3
InChIKey:
OGKCJWOOFUPRSV-UHFFFAOYSA-N
DeepSMILES:
CSSCSC))CC
Functional groups:
CSSC(C)SC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organosulfur compounds
ClassyFire Class:
Organic disulfides
ClassyFire Subclass:
Dialkyldisulfides
NP-Likeness score:
1.186
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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