4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-5-[(phenylamino)methylene]-2-thioxo-
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Basic information
- CAS
41383-01-1- Standard SMILES
CCn1c(O)c(C=Nc2ccccc2)c(=O)n(CC)c1=S- InChIKey
SJJPQWSKQIEYBV-UHFFFAOYSA-N- Molecular formula
- C15H17N3O2S
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.10414797
Names & identifiers
- Preferred name
- 4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-5-[(phenylamino)methylene]-2-thioxo-
- IUPAC
- 1,3-diethyl-6-hydroxy-5-(phenyliminomethyl)-2-sulfanylidenepyrimidin-4-one
- English name
- 1,3-Diethyldihydro-5-[(phenylamino)methylene]-2-thioxo-4,6(1H,5H)-pyrimidinedione
- Molecular formula
- C15H17N3O2S
- Molecular weight
- 303.38
Names & synonyms
5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-5-[(phenylamino)methylene]-2-thioxo-DTXSID10683064,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-5-((phenylamino)methylene)-2-thioxo-RefChem:507881DTXCID303990541383-01-15-(anilinomethylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dioneSCHEMBL116400591,3-Diethyldihydro-5-[(phenylamino)methylene]-2-thioxo-4,6(1H,5H)-pyrimidinedione5-anilinomethylene-1,3-diethyl-2-thiobarbituric acid
Database identifiers
- CAS
41383-01-1- PubChem CID
- 951964
- DTXSID
DTXSID1068306- Nikkaji
- J422.443D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- EPA Substance Registry System
- 4 · 4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-5-[(phenylamino)methylene]-2-thioxo- (41383-01-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-5-[(phenylamino)methylene]-2-thioxo-: ACTIVE
Related reactions
0 records
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Compound notes
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