2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol

C8H11N3O3S — CID 80921748

IUPAC2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol
SMILESNNc1cccc(SCCO)c1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O3S/c9-10-6-2-1-3-7(15-5-4-12)8(6)11(13)14/h1-3,10,12H,4-5,9H2
InChIKeyXRTKAGRCGUXQFA-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.96
Rot. Bonds5

About 2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol

2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol (PubChem CID 80921748) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol
PubChem CID80921748
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol
SMILESNNc1cccc(SCCO)c1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O3S/c9-10-6-2-1-3-7(15-5-4-12)8(6)11(13)14/h1-3,10,12H,4-5,9H2
InChIKeyXRTKAGRCGUXQFA-UHFFFAOYSA-N
XLogP0.96
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine
CID 80925330
[3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine
CID 80921971
3-(3-fluoro-2-nitrophenyl)sulfanylpropan-1-ol
CID 66113168
[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-nitrophenyl]hydrazine
CID 80923605
3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107647332
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
3-(3-hydrazinyl-2-nitroanilino)-2-methylsulfanylbutan-1-ol
CID 106163685
3-(2-methoxyethylsulfanyl)-2-nitroaniline
CID 80884375
3-butylsulfanyl-2-nitro-N-propylaniline
CID 80883975
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80907483
2-(3-hydrazinyl-2-nitroanilino)-2-methylbutan-1-ol
CID 80918015

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol?
The IUPAC name of 2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol (CID 80921748) is 2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol.
What is the SMILES notation for 2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol?
The canonical SMILES for 2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol is NNc1cccc(SCCO)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol?
The InChIKey is XRTKAGRCGUXQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c9-10-6-2-1-3-7(15-5-4-12)8(6)11(13)14/h1-3,10,12H,4-5,9H2.
What are the key properties of 2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol?
2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol has a molecular weight of 229.26 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol is sourced from PubChem (CID 80921748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).