(4-((2-Aminoethyl)dithio)phenyl)(hydroxy)azane oxide
Basic information
- CAS
13686-69-6- Standard SMILES
NCCSSc1ccc([N+](=O)[O-])cc1- InChIKey
BDLCNNYZCYUGRS-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2S2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.01836991
Names & identifiers
- Preferred name
- (4-((2-Aminoethyl)dithio)phenyl)(hydroxy)azane oxide
- IUPAC
- 2-[(4-nitrophenyl)disulfanyl]ethanamine
Names & synonyms
(4-((2-Aminoethyl)dithio)phenyl)(hydroxy)azane oxideNSC 34201913686-69-6NSC3420192-[(4-nitrophenyl)disulfanyl]ethanamine1-[(2-aminoethyl)disulfanyl]-4-nitrobenzeneDW97SNF62RSCHEMBL92113742-(4-Nitro-phenyldithio)-ethylamin2-[(4-Nitrophenyl)dithio]ethanamine2-(4-nitrophenyl)disulfanylethanamine95056-40-9
Show more names
Ethanamine, 2-[(4-nitrophenyl)dithio]-
Database identifiers
- CAS
13686-69-6、95056-40-9- PubChem CID
- 434075
- UNII
- DW97SNF62R
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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