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IMPPAT Phytochemical information:
Methyl propyl sulfide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015843
Phytochemical name:
Methyl propyl sulfide
Synonymous chemical names:
methyl propyl sulfide, methyl propyl sulphide
External chemical identifiers:
CID:19754
,
ChEBI:88383
,
ZINC:ZINC000002038334
,
FDASRS:NXA8RQ27B3
,
SureChEMBL:SCHEMBL125186
Chemical structure information
SMILES:
CCCSC
InChI:
InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3
InChIKey:
ZOASGOXWEHUTKZ-UHFFFAOYSA-N
DeepSMILES:
CCCSC
Functional groups:
CSC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organosulfur compounds
ClassyFire Class:
Thioethers
ClassyFire Subclass:
Dialkylthioethers
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Fatty alcohols
NP-Likeness score:
-0.997
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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