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IMPPAT Phytochemical information:
S,S'-Dimethyl dithiocarbonate
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015941
Phytochemical name:
S,S'-Dimethyl dithiocarbonate
Synonymous chemical names:
s,s-dimethyl dithiocarbonate
External chemical identifiers:
CID:313474
,
ZINC:ZINC000001757801
,
SureChEMBL:SCHEMBL41116
,
MolPort-016-580-607
Chemical structure information
SMILES:
CSC(=O)SC
InChI:
InChI=1S/C3H6OS2/c1-5-3(4)6-2/h1-2H3
InChIKey:
IUXMJLLWUTWQFX-UHFFFAOYSA-N
DeepSMILES:
CSC=O)SC
Functional groups:
CSC(=O)SC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic acids and derivatives
ClassyFire Class:
Organic carbonic acids and derivatives
NP-Likeness score:
-0.351
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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