Toluene-4-thiosulfonic acid S-(7-tert-butyl-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-6-yl)ester

HCID 69735976

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

Related reactions

3 records

Compound notes

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