2-[3-(2-Amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide
Basic information
- CAS
104819-00-3- Standard SMILES
NC(=O)CSc1nc2ccccc2nc1SCC(N)=O- InChIKey
IJIUCYWOTJRKIC-UHFFFAOYSA-N- Molecular formula
- C12H12N4O2S2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.04016799
Names & identifiers
- Preferred name
- 2-[3-(2-Amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide
- IUPAC
- 2-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide
Names & synonyms
104819-00-32-[3-(2-amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide2,2'-[Quinoxaline-2,3-diylbis(sulfanediyl)]diacetamide2,2'-(quinoxaline-2,3-diylbis(sulfanediyl))diacetamideCambridge id 6679383Oprea1_242471MLS000662723CHEMBL1605673IJIUCYWOTJRKIC-UHFFFAOYSA-NDTXSID801327782HMS2721I19STK765827
Show more names
AKOS001676264SMR000270168ST038390EU-00786332,2'-[2,3-quinoxalinediylbis(thio)]diacetamideSR-01000495859SR-01000495859-12,2'-(quinoxaline-2,3-diyldisulfanediyl)diacetamide
Database identifiers
- CAS
104819-00-3- PubChem CID
- 612552
- DTXSID
DTXSID801327782- ChEMBL
CHEMBL1605673
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Experimental & physicochemical properties
Solubility6.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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