5-methyl-3-{[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}oxolan-2-one
Basic information
- CAS
879319-19-4- Standard SMILES
Cc1ccccc1-n1c(C)nnc1SC1CC(C)OC1=O- InChIKey
FOIZAZXEZSDNGO-UHFFFAOYSA-N- Molecular formula
- C15H17N3O2S
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.10414797
Names & identifiers
- Preferred name
- 5-methyl-3-{[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}oxolan-2-one
- IUPAC
- 5-methyl-3-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
Names & synonyms
DTXSID201113026AKOS034649785879319-19-4Z879726875-methyl-3-{[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}oxolan-2-onePentonic acid, 3,5-dideoxy-2-S-[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-thio-, I(3)-lactone
Database identifiers
- CAS
879319-19-4- PubChem CID
- 16329338
- DTXSID
DTXSID201113026
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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