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IMPPAT Phytochemical information:
Methyl propyl pentasulfide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016833
Phytochemical name:
Methyl propyl pentasulfide
Synonymous chemical names:
propyl methyl pentasulfide
External chemical identifiers:
CID:528716
Chemical structure information
SMILES:
CCCSSSSSC
InChI:
InChI=1S/C4H10S5/c1-3-4-6-8-9-7-5-2/h3-4H2,1-2H3
InChIKey:
RFDQTEOGCIIPEK-UHFFFAOYSA-N
DeepSMILES:
CCCSSSSSC
Functional groups:
CSSSSSC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organosulfur compounds
ClassyFire Class:
Sulfenyl compounds
NP-Likeness score:
1.851
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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