2,4(1H,3H)-Pyrimidinedione, 5,5-diethyldihydro-1-methyl-6-thioxo-
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Basic information
- CAS
60023-99-6- Standard SMILES
CCC1(CC)C(=O)NC(=O)N(C)C1=S- InChIKey
YLNGDSWSXGRCSU-UHFFFAOYSA-N- Molecular formula
- C9H14N2O2S
- Average molar mass
- 214.29 g/mol
- Monoisotopic mass
- 214.07759887
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 5,5-diethyldihydro-1-methyl-6-thioxo-
- IUPAC
- 5,5-diethyl-1-methyl-6-sulfanylidene-1,3-diazinane-2,4-dione
- English name
- 5,5-diethyl-1-methyl-6-thioxodihydro-2,4(1H,3H)-pyrimidinedione
- Molecular formula
- C9H14N2O2S
- Molecular weight
- 214.28466
Names & synonyms
60023-99-62,4(1H,3H)-Pyrimidinedione, 5,5-diethyldihydro-1-methyl-6-thioxo-DTXSID50358487RefChem:245308DTXCID203095425,5-diethyl-1-methyl-6-sulfanylidene-1,3-diazinane-2,4-dioneYLNGDSWSXGRCSU-UHFFFAOYSA-N3-Methyl-4-thio-5,5-diethylbarbituric acidAH-262/324910375,5-diethyl-1-methyl-6-thioxodihydro-2,4(1H,3H)-pyrimidinedione
Database identifiers
- CAS
60023-99-6- PubChem CID
- 900015
- DTXSID
DTXSID50358487
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
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Compound notes
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