IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
Ethyl methyl disulfide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016652
Phytochemical name:
Ethyl methyl disulfide
Synonymous chemical names:
ethyl methyl disulfide
External chemical identifiers:
CID:123388
,
ZINC:ZINC000002581442
,
FDASRS:13370B0F26
,
SureChEMBL:SCHEMBL83094
Chemical structure information
SMILES:
CCSSC
InChI:
InChI=1S/C3H8S2/c1-3-5-4-2/h3H2,1-2H3
InChIKey:
XLTBPTGNNLIKRW-UHFFFAOYSA-N
DeepSMILES:
CCSSC
Functional groups:
CSSC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organosulfur compounds
ClassyFire Class:
Organic disulfides
ClassyFire Subclass:
Dialkyldisulfides
NP-Likeness score:
0.706
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top