Basic information
- CAS
6851-33-8- Standard SMILES
CS(=O)(=O)c1cc(=O)[nH]c(=O)[nH]1- InChIKey
IBABLMOBNCGAMS-UHFFFAOYSA-N- Molecular formula
- C5H6N2O4S
- Average molar mass
- 190.18 g/mol
- Monoisotopic mass
- 190.00482785
Names & identifiers
- Preferred name
- 6-(Methylsulfonyl)uracil
- IUPAC
- 6-methylsulfonyl-1H-pyrimidine-2,4-dione
Names & synonyms
6-(Methylsulfonyl)uracil6851-33-86-(methylsulfonyl)pyrimidine-2,4(1h,3h)-dioneUracil, 6-(methylsulfonyl)-2,4(1H,3H)-Pyrimidinedione, 6-(methylsulfonyl)-NSC3428CMQ73ZS7XTNSC-34286-(Methylsulfonyl)-2,4-pyrimidinediol6-methylsulfonyl-1H-pyrimidine-2,4-dioneNSC 34286-Methylsulfonyluracil
Show more names
UNII-CMQ73ZS7XTSCHEMBL2117133SCHEMBL6912864DTXSID902186376-methylsulfonylpyrimidine-2,4-diolDS-005815pyrimidine-2,4(1H,3H)-dione, 6-mesyl-2,3H)-Pyrimidinedione, 6-(methylsulfonyl)-
Database identifiers
- CAS
6851-33-8- PubChem CID
- 220528
- DTXSID
DTXSID90218637- UNII
- CMQ73ZS7XT
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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