Basic information
- CAS
3415-19-8- Standard SMILES
CS(=O)(=O)c1ccc(-c2cn3[nH]cnc3n2)cc1- InChIKey
VVDOBSIULNBZRI-UHFFFAOYSA-N- Molecular formula
- C11H10N4O2S
- Average molar mass
- 262.29 g/mol
- Monoisotopic mass
- 262.05244675
Names & identifiers
- Preferred name
- 1H-Imidazo(1,2-b)-s-triazole, 5-(p-methylsulfonylphenyl)-
- IUPAC
- 5-(4-methylsulfonylphenyl)-1H-imidazo[1,2-b][1,2,4]triazole
- English name
- 5-[4-(Methylsulfonyl)phenyl]-1H-imidazo[1,2-b][1,2,4]triazole
- Molecular formula
- C11H10N4O2S
- Molecular weight
- 262.29
Names & synonyms
3415-19-81H-Imidazo(1,2-b)-s-triazole, 5-(p-methylsulfonylphenyl)-5-(p-Methylsulfonylphenyl)-1H-imidazo(1,2-b)-s-triazoleDTXSID10187750RefChem:237814DTXCID701102415-[4-(Methylsulfonyl)phenyl]-1H-imidazo[1,2-b][1,2,4]triazole5-[4-(Methanesulfonyl)phenyl]-1H-imidazo[1,2-b][1,2,4]triazole1H-Imidazo[1,2-b][1,2,4]triazole, 5-[4-(methylsulfonyl)phenyl]-
Database identifiers
- CAS
3415-19-8- PubChem CID
- 201231
- DTXSID
DTXSID10187750- Nikkaji
- J40.981B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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