Completing data — usually done within a minute
Basic information
- CAS
108966-58-1- Standard SMILES
NS(=O)(=O)c1ccc(SCCO)c([N+](=O)[O-])c1- InChIKey
UXGFMDKHLGDQJS-UHFFFAOYSA-N- Molecular formula
- C8H10N2O5S2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.00311377
Names & identifiers
- Preferred name
- 4-(2-Hydroxyethylsulfanyl)-3-nitrobenzenesulfonamide
- IUPAC
- 4-(2-hydroxyethylsulfanyl)-3-nitrobenzenesulfonamide
Names & synonyms
108966-58-14-[(2-hydroxyethyl)sulfanyl]-3-nitrobenzene-1-sulfonamide4-(2-Hydroxyethylthio)-3-nitrobenzenesulfonamide4-(2-hydroxyethylsulfanyl)-3-nitrobenzenesulfonamideCHEMBL105730SCHEMBL10528943DTXSID50406614UXGFMDKHLGDQJS-UHFFFAOYSA-NEBC-06641AKOS005831828EN300-12813653SR-01000067165
Show more names
SR-01000067165-1Z31206322
Database identifiers
- CAS
108966-58-1- PubChem CID
- 4842634
- DTXSID
DTXSID50406614- ChEMBL
CHEMBL105730- Nikkaji
- J459.523H
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 361
Related reactions
2 records
Compound notes
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