Basic information
- CAS
5757-87-9- Standard SMILES
Cn1c(O)c(C2=NC(=S)NC2=O)c2ccccc21- InChIKey
MPQNXHPGJXJZFB-UHFFFAOYSA-N- Molecular formula
- C12H9N3O2S
- Average molar mass
- 259.29 g/mol
- Monoisotopic mass
- 259.04154771
Names & identifiers
- Preferred name
- 1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one
- IUPAC
- 5-(2-hydroxy-1-methylindol-3-yl)-2-sulfanylideneimidazol-4-one
Names & synonyms
1-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one5757-87-9145693-84-1AC1NSN02Oprea1_361638DTXSID904166315-(2-hydroxy-1-methylindol-3-yl)-2-sulfanylideneimidazol-4-oneSTL331149AKOS001626907SDCCGMLS-0064914.P001ST50186887AB00095981-01
Show more names
AG-690/09550008SR-01000438035SR-01000438035-1(Z)-1-methyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)indolin-2-one(3Z)-1-Methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one(3Z)-1-methyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one1-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one5-(1-methyl-2-oxobenzo[d]azolidin-3-ylidene)-2-thioxo-1,3-diazolidin-4-one
Database identifiers
- CAS
5757-87-9- PubChem CID
- 717439
- DTXSID
DTXSID90416631- Nikkaji
- J516.632B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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