Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)Sc2cc3[nH]c(=O)c(=O)[nH]c3cc2C(C)(C)C)cc1- InChIKey
WPSGCIVPKPZMMM-UHFFFAOYSA-N- Molecular formula
- C19H20N2O4S2
- Average molar mass
- 404.5 g/mol
Names & identifiers
- Preferred name
- Toluene-4-thiosulfonic acid S-(7-tert-butyl-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-6-yl)ester
- IUPAC
- 6-tert-butyl-7-(4-methylphenyl)sulfonylsulfanyl-1,4-dihydroquinoxaline-2,3-dione
Names & synonyms
SCHEMBL6302820WPSGCIVPKPZMMM-UHFFFAOYSA-NToluene-4-thiosulfonic acid S-(7-tert-butyl-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-6-yl) EsterToluene-4-thiosulfonic acid S-(7-tert-butyl-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-6-yl)ester
Database identifiers
- PubChem CID
- 69735976
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 687
Related reactions
3 records
Compound notes
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