MetaADEDB 2.0 @ LMMD
diisopropyl 1,3-dithiol-2-ylidenemalonate
(YPIQVCUJEKAZCP-UHFFFAOYSA-N)
Structure
SMILES
CC(OC(=O)C(=C1SC=CS1)C(=O)OC(C)C)C
Molecular Formula:
C12H16O4S2
Molecular Weight:
288.383
Log P:
3.0524
Hydrogen Bond Acceptor:
6
Hydrogen Bond Donor:
0
TPSA:
103.2
CAS Number(s):
59937-28-9
Synonym(s)
1.
diisopropyl 1,3-dithiol-2-ylidenemalonate
2.
NKK 105
3.
NKK-105
4.
malotilate
External Link(s)
MeSHC024808
PubChem Compound4006
ChEBI31798
CHEMBLCHEMBL1697754
DrugCentral1627
KEGGdr:D01770
ZINC1542902
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Chemical and Drug Induced Liver Injury3795300CTD
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