IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Diethyl disulfide
Summary
Physicochemical
Drug-likeness
ADME
Descriptors
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Summary
IMPPAT Phytochemical identifier:
IMPPAT3_PHYID007436
Phytochemical name:
Diethyl disulfide
Synonymous chemical names:
ethyl disulphide, diethyl disulphide, diethyl disulfide, ethyl disulfide
External chemical identifiers:
CID:CID_8077
,
ZINC:ZINC000001648264
,
FDASRS:X2SFL51MH0
,
SureChEMBL:SCHEMBL82321
,
MolPort-001-783-205
Chemical structure information
SMILES:
CCSSCC
InChI:
InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3
InChIKey:
CETBSQOFQKLHHZ-UHFFFAOYSA-N
DeepSMILES:
CCSSCC
Functional groups:
CSSC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organosulfur compounds
ClassyFire Class:
Organic disulfides
ClassyFire Subclass:
Dialkyldisulfides
NP-Likeness score:
0.039
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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