IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
Methyl propyl tetrasulphide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015844
Phytochemical name:
Methyl propyl tetrasulphide
Synonymous chemical names:
methyl-propyl-tetrasulfide, propyl tetrasulfide, methyl
External chemical identifiers:
CID:528709
Chemical structure information
SMILES:
CCCSSSSC
InChI:
InChI=1S/C4H10S4/c1-3-4-6-8-7-5-2/h3-4H2,1-2H3
InChIKey:
QQHQQGRHGUQYLO-UHFFFAOYSA-N
DeepSMILES:
CCCSSSSC
Functional groups:
CSSSSC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organosulfur compounds
ClassyFire Class:
Sulfenyl compounds
NP-Likeness score:
1.82
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top