Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)Sc2cc(N)c(N)cc2C(C)(C)C)cc1- InChIKey
YRQNYOBPINVKQF-UHFFFAOYSA-N- Molecular formula
- C17H22N2O2S2
- Average molar mass
- 350.5 g/mol
Names & identifiers
- Preferred name
- Toluene-4-thiosulfonic acid S-(4,5-diamino-2-tert-butyl-phenyl) Ester
- IUPAC
- 4-tert-butyl-5-(4-methylphenyl)sulfonylsulfanylbenzene-1,2-diamine
Names & synonyms
SCHEMBL6296402YRQNYOBPINVKQF-UHFFFAOYSA-NToluene-4-thiosulfonic acid S-(4,5-diamino-2-tert-butyl-phenyl) EsterToluene-4-thiosulfonic acid S-(4,5-diamino-2-tert-butyl-phenyl)ester
Database identifiers
- PubChem CID
- 54523728
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 488
Related reactions
2 records
Compound notes
Loading…