IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
IMPPAT-KG
STATISTICS
ACKNOWLEDGEMENT
DOWNLOAD
HELP
IMPPAT Phytochemical information:
Methyl propyl trisulfide
Summary
Physicochemical
Drug-likeness
ADME
Descriptors
Patents
Summary
IMPPAT Phytochemical identifier:
IMPPAT3_PHYID001949
Phytochemical name:
Methyl propyl trisulfide
Synonymous chemical names:
methyl-propyl-trisulfide, methyl propyl trisulfide
External chemical identifiers:
CID:CID_5319765
,
ChEBI: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
Top