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IMPPAT Phytochemical information:
Methyl propyl trisulfide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015845
Phytochemical name:
Methyl propyl trisulfide
Synonymous chemical names:
methyl propyl trisulfide, methyl-propyl-trisulfide
External chemical identifiers:
CID:5319765
,
ChEBI:173654
,
FDASRS:ON3O10BZAN
,
SureChEMBL:SCHEMBL3506438
Chemical structure information
SMILES:
CCCSSSC
InChI:
InChI=1S/C4H10S3/c1-3-4-6-7-5-2/h3-4H2,1-2H3
InChIKey:
ZOYASYRPGHCQHW-UHFFFAOYSA-N
DeepSMILES:
CCCSSSC
Functional groups:
CSSSC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organosulfur compounds
ClassyFire Class:
Organic trisulfides
NP-Likeness score:
1.703
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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