IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
(E)-Ethylene, 1,2-bis(methylthio)-
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017429
Phytochemical name:
(E)-Ethylene, 1,2-bis(methylthio)-
Synonymous chemical names:
ethene,1,2-bis(methylthio)
External chemical identifiers:
CID:5370886
,
SureChEMBL:SCHEMBL9518230
Chemical structure information
SMILES:
CS/C=C/SC
InChI:
InChI=1S/C4H8S2/c1-5-3-4-6-2/h3-4H,1-2H3/b4-3+
InChIKey:
MRWRXEYAMMSGNE-ONEGZZNKSA-N
DeepSMILES:
CS/C=C/SC
Functional groups:
CS/C=C/SC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organosulfur compounds
ClassyFire Class:
Thioethers
ClassyFire Subclass:
Thioenol ethers
NP-Likeness score:
0.831
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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