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IMPPAT Phytochemical information:
1-(Methylthioethyl) methyl disulfide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017339
Phytochemical name:
1-(Methylthioethyl) methyl disulfide
Synonymous chemical names:
methyl 1-(methylthio) ethyl disulfide
External chemical identifiers:
CID:528855
Chemical structure information
SMILES:
CSSC(SC)C
InChI:
InChI=1S/C4H10S3/c1-4(5-2)7-6-3/h4H,1-3H3
InChIKey:
BILDZELNIVRXQA-UHFFFAOYSA-N
DeepSMILES:
CSSCSC))C
Functional groups:
CSSC(C)SC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organosulfur compounds
ClassyFire Class:
Organic disulfides
ClassyFire Subclass:
Dialkyldisulfides
NP-Likeness score:
0.334
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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