2-(3-Amino-2-nitro-phenylsulfanyl)-ethanol

HCID 21877331
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Basic information

Standard SMILES
Nc1cccc(SCCO)c1[N+](=O)[O-]
InChIKey
ACSQNRYCTCAIKT-UHFFFAOYSA-N
Molecular formula
C8H10N2O3S
Average molar mass
214.24 g/mol
Monoisotopic mass
214.04121336

Names & identifiers

Preferred name
2-(3-Amino-2-nitro-phenylsulfanyl)-ethanol
IUPAC
2-(3-amino-2-nitrophenyl)sulfanylethanol

Names & synonyms

SCHEMBL5249911ACSQNRYCTCAIKT-UHFFFAOYSA-NAKOS0194533732-(3-amino-2-nitro-phenylsulfanyl)ethanol2-(3-amino-2-nitrophenylsulfanyl) ethanol2-(3-amino-2-nitro-phenylsulfanyl)-ethanol

Database identifiers

PubChem CID
21877331

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
117 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
14

Related reactions

10 records
New reaction record

Linked notes

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