5-(4-Methylbenzylidene)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
Basic information
- CAS
60045-62-7- Standard SMILES
Cc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1- InChIKey
DDSUYICEGYMNQH-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2S
- Average molar mass
- 246.29 g/mol
- Monoisotopic mass
- 246.04629874
Names & identifiers
- Preferred name
- 5-(4-Methylbenzylidene)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
- IUPAC
- 5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
60045-62-75-(4-methylbenzylidene)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione5-(4-Methylbenzylidene)thiobarbituric acid5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dioneNSC90752NCIOpen2_006289DTXSID80975469NSC-90752STK732215STK845936AKOS001489375AKOS005626202
Show more names
AG-690/330450615-(4-methylbenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione(5Z)-6-hydroxy-5-(4-methylbenzylidene)-2-sulfanylpyrimidin-4(5H)-one4,6-Dihydroxy-5-[(4-methylphenyl)methylidene]pyrimidine-2(5H)-thione
Database identifiers
- CAS
60045-62-7- PubChem CID
- 689253
- DTXSID
DTXSID80975469- Nikkaji
- J2.127.325B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 373
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Compound notes
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